Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Gentisic 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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.87 |
| ▸ | CA2 | P00918 | 6/20 | 0.87 |
| ▸ | CA12 | O43570 | 5/20 | 0.87 |
| ▸ | CA7 | P43166 | 5/20 | 0.87 |
| ▸ | CA9 | Q16790 | 5/20 | 0.87 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.87 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.87 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.87 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KDR | P35968 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | TNF | P01375 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Gentisic Acid SCHEMBL28260819 | 0.96 | CA1 (0.87) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL28318579 | 0.93 | CA1 (0.91) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL2053863 | 0.93 | CA1 (1.00) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL3690 | 0.93 | CA1 (1.00) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL30233582 | 0.93 | CA1 (1.00) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL29349919 | 0.93 | CA1 (1.00) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL450480 | 0.91 | CA1 (0.95) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL8922036 | 0.91 | CA1 (0.95) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL455606 | 0.91 | CA1 (0.95) | CA1CA2CA12CA7CA9 | |
| Gentisic Acid SCHEMBL10980548 | 0.91 | CA1 (0.95) | CA1CA2CA12CA7CA9 |
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-20080219923-A1 | Method and Kit for the Production of Particles Labelled with Rhenium-188 | ROTOP PHARMAKA GMBH (DE) | 2008-09-11 | — | — | US | claimed |