Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | AGXT | P21549 | 2/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6959087 | 0.98 | IDO1 (0.50) | IDO1AGXTTAAR1MAOBSIGMAR1 | |
| SCHEMBL11512652 | 0.85 | TAAR1 (0.53) | TAAR1SIGMAR1PNMTMAOA | |
| SCHEMBL30174362 | 0.80 | PNMT (0.60) | IDO1AGXTTAAR1SIGMAR1PNMT | |
| SCHEMBL30457687 | 0.80 | PNMT (0.60) | IDO1AGXTTAAR1SIGMAR1PNMT | |
| SCHEMBL7473544 | 0.80 | PNMT (0.60) | IDO1AGXTTAAR1SIGMAR1PNMT | |
| SCHEMBL21583913 | 0.80 | PNMT (0.60) | IDO1AGXTTAAR1SIGMAR1PNMT | |
| SCHEMBL21946214 | 0.79 | IDO1 (0.45) | IDO1AGXTTAAR1MAOBSIGMAR1 | |
| Hydrochloric Acid SCHEMBL5234146 | 0.78 | PNMT (0.58) | IDO1AGXTTAAR1SIGMAR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL30559563 | 0.78 | PNMT (0.58) | IDO1AGXTTAAR1SIGMAR1CYP1A2 | |
| SCHEMBL27677582 | 0.78 | TAAR1 (0.49) | IDO1AGXTTAAR1MAOBSIGMAR1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120071654-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2012-03-22 | — | — | US | disclosed |
| US-7994165-B2 | Aryl aniline derivatives as β2 adrenergic receptor agonists | THERAVANCE, INC. (US) | 2011-08-09 | — | — | US | disclosed |
| EP-1706371-B1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE INC (US) | 2011-04-06 | — | — | EP | disclosed |
| US-20100087410-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2010-04-08 | — | — | US | disclosed |
| US-7622467-B2 | 5-[(R)-2-(2-{4-[4-(2-amino-2-methyl-propoxy)-phenylamino]-phenyl}-ethylamino)-1-hydroxy-ethyl]-8-hydroxy-1H-quinolin-2-one; extended duration of action; potency, selectivity; asthma, chronic obstructive pulmonary disease, antiinflammatory, pre-term labor, neurological and cardiac disorders | THERAVANCE, INC. (US) | 2009-11-24 | — | — | US | disclosed |
| EP-1706371-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | Theravance, Inc. (US) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005070872-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2005-08-04 | — | — | WO | disclosed |
| US-20050159448-A1 | Aryl aniline derivatives as beta2 adrenergic receptor agonists | THERAVANCE, INC. | 2005-07-21 | — | — | US | disclosed |
| US-20010049374-A1 | Urokinase inhibitors | STEELE ANDREW W (US) | 2001-12-06 | — | — | US | disclosed |
| US-6284796-B1 | NAPHTHAMIDINE COMPOUNDS | ABBOTT LABORATORIES | 2001-09-04 | — | — | US | disclosed |
| US-6258822-B1 | ENZYME INHIBITORS OF NAPHTHALENE AMIDINE COMPOUNDS | ABBOTT LABORATORIES | 2001-07-10 | — | — | US | disclosed |
| EP-1000018-A2 | UROKINASE INHIBITORS | Abbott Laboratories (US) | 2000-05-17 | — | — | EP | disclosed |
| WO-1999005096-A2 | UROKINASE INHIBITORS | ABBOTT LABORATORIES (US) | 1999-02-04 | — | — | WO | 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 (4 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-20120071654-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | ADRB2, ADRB1, ADRA2A | SIGMAR1 101/4885IDO1 356/4885AGXT 3372/4885 |
| US-20050159448-A1 | Aryl aniline derivatives as beta2 adrenergic receptor agonists | ADRB2, ADRB1, ADRA2A | SIGMAR1 101/4885IDO1 356/4885AGXT 3372/4885 |
| US-20100087410-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | ADRB2, ADRB1, ADRA2A | SIGMAR1 101/4885IDO1 356/4885AGXT 3372/4885 |
| US-20010049374-A1 | Urokinase inhibitors | SERPINE1, PLAU, SERPINB1 | SIGMAR1 4455/4885IDO1 2454/4885AGXT 354/4885 |
“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.