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 | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.40 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.40 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.40 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.40 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.40 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.40 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.40 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.40 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.40 |
| ▸ | TPMT | P51580 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL6008826 | 0.91 | ABCB11 (0.53) | ABCB11TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL9641850 | 0.84 | ABCB11 (0.83) | ABCB11TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL9642000 | 0.84 | ABCB11 (0.83) | ABCB11TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL21297326 | 0.82 | ABCB11 (0.56) | ABCB11TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL9654895 | 0.81 | ABCB11 (0.47) | ABCB11TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL9642961 | 0.81 | ABCB11 (0.76) | ABCB11TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL9629359 | 0.79 | ABCB11 (0.69) | ABCB11TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL9642080 | 0.79 | ABCB11 (0.57) | ABCB11TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL9642865 | 0.79 | ABCB11 (0.57) | ABCB11TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL9642632 | 0.78 | ABCB11 (0.59) | ABCB11TUBB4ATUBBTUBA3CTUBA1B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7132441-B2 | Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a 5-lipoxygenase inhibitor | G.D. SEARLE & CO. (US) | 2006-11-07 | — | — | US | claimed |