Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 4/20 | 0.39 |
| ▸ | CHRNA3 known ✓ | P32297 | 4/20 | 0.39 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.36 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.50 |
| ▸ | GABRP | O00591 | 3/20 | 0.46 |
| ▸ | GABRD | O14764 | 3/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL42967 | 0.91 | — | — | |
| Fluoride SCHEMBL28171923 | 0.88 | — | — | |
| SCHEMBL17743430 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL563782 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL1014829 | 0.88 | — | — | |
| Water SCHEMBL10853319 | 0.88 | — | — | |
| Sulfuric Acid SCHEMBL29446121 | 0.81 | SLC6A1 (0.48) | SLC6A1TSHRSLC6A11LMNASMN1; SMN2 | |
| Phosphoric Acid SCHEMBL28182962 | 0.81 | SLC6A1 (0.48) | SLC6A1TSHRSLC6A11LMNASMN1; SMN2 | |
| SCHEMBL8256069 | 0.80 | CYP2D6 (0.54) | SLC6A1TSHRSLC6A11LMNASMN1; SMN2 | |
| SCHEMBL1954666 | 0.80 | SLC6A1 (0.65) | SLC6A1TSHRSLC6A11LMNASMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2592071-B1 | Tricyclic heterocyclic compounds | BRISTOL MYERS SQUIBB CO (US) | 2019-09-18 | — | — | EP | disclosed |
| US-9216972-B2 | Tricyclic heterocyclic compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-12-22 | — | — | US | disclosed |
| EP-2592071-A1 | Tricyclic heterocyclic compounds | Bristol-Myers Squibb Company (US) | 2013-05-15 | — | — | EP | disclosed |
| EP-2493866-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS | Bristol-Myers Squibb Company (US) | 2012-09-05 | — | — | EP | disclosed |
| US-20120214767-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2012-08-23 | — | — | US | disclosed |
| EP-2382212-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | Bristol-Myers Squibb Company (US) | 2011-11-02 | — | — | EP | disclosed |
| WO-2011059784-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |
| WO-2010085581-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-29 | — | — | 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 (1 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-20120214767-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS | S1PR1, S1PR3, TBXA2R | CHRNB4 641/4885CHRNA3 265/4885NOS2 2490/4885 |
“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.