Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Toluene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.61 |
| ▸ | ACHE | P22303 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Toluene SCHEMBL22729215 | 0.94 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL20027 | 0.94 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL27342895 | 0.94 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL5198578 | 0.94 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL28769535 | 0.94 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL5199381 | 0.94 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL6443613 | 0.94 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL11136681 | 0.94 | ACHE (0.69) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL19136016 | 0.92 | LMNA (0.65) | LMNAACHETSHRALOX12MEN1 | |
| Toluene SCHEMBL28873544 | 0.92 | LMNA (0.65) | LMNAACHETSHRALOX12MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9040559-B2 | BETA2-adrenoceptor agonists | NOVARTIS AG (CH) | 2015-05-26 | — | — | US | disclosed |
| US-20140343091-A1 | BETA2-ADRENOCEPTOR AGONISTS | NOVARTIS AG (CH) | 2014-11-20 | — | — | US | disclosed |
| US-20120108555-A1 | Mixtures or Organic Compounds for the Treatment of Airway Diseases | CUENOUD BERNARD (CH) | 2012-05-03 | — | — | US | disclosed |
| US-20110034509-A1 | Beta-2-Adrenoreceptor Agonists | CUENOUD BERNARD | 2011-02-10 | — | — | US | disclosed |
| US-7820694-B2 | Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis | NOVARTIS AG (CH) | 2010-10-26 | — | — | US | disclosed |
| US-20100068288-A1 | MIXTURES OR ORGANIC COMPOUNDS FOR THE TREATMENT OF AIRWAY DISEASES | CUENOUD BERNARD | 2010-03-18 | — | — | US | disclosed |
| US-20100029705-A1 | Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis | CUENOUD BERNARD | 2010-02-04 | — | — | US | disclosed |
| US-7622483-B2 | Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis | NOVARTIS AG (CH) | 2009-11-24 | — | — | US | disclosed |
| US-7008951-B2 | Mixtures or organic compounds for the treatment of airway diseases | NOVARTIS AG (CH) | 2006-03-07 | — | — | US | disclosed |
| US-20050153957-A1 | Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis | NOVARTIS AG (CH) | 2005-07-14 | — | — | US | disclosed |
| US-6878721-B1 | N-(partially hydrogenated fused carbocycle)-2-arylethylamine derivatives, e.g., 8-hydroxy-5-(1-hydroxy-2-(indan-2-ylamino)-ethyl)-1H-quinolin-2-one; treatment of obstructive or inflammatory | NOVARTIS AG (CH) | 2005-04-12 | — | — | US | disclosed |
| US-20050009795-A1 | Mixtures or organic compounds for the treatment of airway diseases | CUENOUD BERNARD (CH) | 2005-01-13 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110034509-A1 | Beta-2-Adrenoreceptor Agonists | ADRB2, ADRB1, ADRB3 | LMNA 1256/4885ACHE 1944/4885TSHR 251/4885 |
| US-20140343091-A1 | BETA2-ADRENOCEPTOR AGONISTS | ADRB2, ADRB1, ADRA2A | LMNA 1248/4885ACHE 1206/4885TSHR 307/4885 |
| US-20100068288-A1 | MIXTURES OR ORGANIC COMPOUNDS FOR THE TREATMENT OF AIRWAY DISEASES | NR3C2, CYP11B2, NR3C1 | LMNA 1673/4885ACHE 3114/4885TSHR 3041/4885 |
| US-20050153957-A1 | Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis | ADRB3, ADRB2, ADRB1 | LMNA 3768/4885ACHE 346/4885TSHR 395/4885 |
| US-20120108555-A1 | Mixtures or Organic Compounds for the Treatment of Airway Diseases | NR3C2, CYP11B2, NR3C1 | LMNA 1673/4885ACHE 3114/4885TSHR 3041/4885 |
| US-20100029705-A1 | Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis | ADRB3, ADRB2, ADRB1 | LMNA 3768/4885ACHE 346/4885TSHR 395/4885 |
| US-20050009795-A1 | Mixtures or organic compounds for the treatment of airway diseases | NR3C2, CYP11B2, NR3C1 | LMNA 1673/4885ACHE 3114/4885TSHR 3041/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.