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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.56 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | CTNNB1 | P35222 | 6/20 | 0.43 |
| ▸ | WNT3A | P56704 | 5/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11659979 | 0.98 | AKR1B1 (0.56) | AKR1B1MAPK14CTNNB1WNT3AACHE | |
| SCHEMBL11565536 | 0.98 | AKR1B1 (0.56) | AKR1B1MAPK14CTNNB1WNT3AACHE | |
| SCHEMBL11564660 | 0.98 | AKR1B1 (0.56) | AKR1B1MAPK14CTNNB1WNT3AACHE | |
| Potassium Ion SCHEMBL11567753 | 0.98 | AKR1B1 (0.56) | AKR1B1MAPK14CTNNB1WNT3AACHE | |
| SCHEMBL11562156 | 0.88 | AKR1B1 (0.65) | AKR1B1MAPK14CTNNB1WNT3ASRD5A2 | |
| SCHEMBL11659100 | 0.86 | AKR1B1 (0.41) | AKR1B1CTNNB1WNT3AKDM4ESRD5A2 | |
| SCHEMBL11563846 | 0.84 | CA12 (0.42) | AKR1B1CTNNB1WNT3AKDM4EALDH1A1 | |
| SCHEMBL11567084 | 0.84 | AKR1B1 (0.54) | AKR1B1MAPK14CTNNB1WNT3AKDM4E | |
| SCHEMBL11566471 | 0.83 | AKR1B1 (0.60) | AKR1B1MAPK14CTNNB1WNT3AACHE | |
| Isopropylamine SCHEMBL11566190 | 0.82 | AKR1B1 (0.57) | AKR1B1MAPK14CTNNB1WNT3ATTR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0003422-A1 | Novel 4-(8X-6,11-dihydrodibenzo-(b,e)-thiepin-11-one-3-yl)-4-oxobutyric acids, methods of preparation, compositions and uses thereof | SYNTEX (U.S.A.) INC. (US) | 1979-08-08 | — | — | EP | disclosed |
| US-4130654-A | ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, FRIBRINOLYTIC, MUSCLE RELAXANT | SYNTEX (U.S.A.) INC. (US) | 1978-12-19 | — | — | US | disclosed |