Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.37 |
| ▸ | WNT3A | P56704 | 3/20 | 0.37 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11563438 | 0.89 | AKR1B1 (0.47) | AKR1B1CTNNB1WNT3AMETAP1KMT2A | |
| SCHEMBL11567137 | 0.86 | AKR1B1 (0.56) | AKR1B1CTNNB1WNT3ASRD5A2KDM4E | |
| SCHEMBL11565297 | 0.85 | AKR1B1 (0.44) | AKR1B1METAP1KMT2AMEN1NPC1 | |
| SCHEMBL11563846 | 0.85 | CA12 (0.42) | AKR1B1CTNNB1WNT3AMETAP1KDM4E | |
| SCHEMBL11659979 | 0.84 | AKR1B1 (0.56) | AKR1B1CTNNB1WNT3ASRD5A2KDM4E | |
| SCHEMBL11565536 | 0.84 | AKR1B1 (0.56) | AKR1B1CTNNB1WNT3ASRD5A2KDM4E | |
| SCHEMBL11564660 | 0.84 | AKR1B1 (0.56) | AKR1B1CTNNB1WNT3ASRD5A2KDM4E | |
| Potassium Ion SCHEMBL11567753 | 0.84 | AKR1B1 (0.56) | AKR1B1CTNNB1WNT3ASRD5A2KDM4E | |
| SCHEMBL11639600 | 0.83 | LMNA (0.41) | AKR1B1CTNNB1WNT3AMETAP1KMT2A | |
| SCHEMBL11658335 | 0.83 | CA12 (0.42) | AKR1B1CTNNB1WNT3AMETAP1KDM4E |
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-4130654-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, FRIBRINOLYTIC, MUSCLE RELAXANT | SYNTEX (U.S.A.) INC. (US) | 1978-12-19 | — | — | US | claimed |