Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 known ✓ | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 known ✓ | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 known ✓ | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 known ✓ | Q16654 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.47 |
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | SGMS1 | Q86VZ5 | 3/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7920987 | 0.86 | ALDH1A1 (0.53) | ALDH1A1POLBCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7918906 | 0.83 | ALDH1A1 (0.49) | ALDH1A1POLBTBXA2RTBXAS1ADAMTS4 | |
| SCHEMBL8442643 | 0.82 | ALDH1A1 (0.50) | ALDH1A1POLBADAMTS4MMP13MEN1 | |
| SCHEMBL7920983 | 0.81 | TBXA2R (0.63) | ALDH1A1POLBTBXA2RTBXAS1SGMS1 | |
| Sulotroban SCHEMBL9585833 | 0.76 | TBXA2R (0.79) | ALDH1A1POLBTBXA2RTBXAS1SGMS1 | |
| SCHEMBL9765276 | 0.74 | TBXA2R (0.60) | ALDH1A1POLBCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9765248 | 0.74 | TBXA2R (0.60) | ALDH1A1POLBCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9765251 | 0.74 | TBXA2R (0.60) | ALDH1A1POLBCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7920565 | 0.74 | ALDH1A1 (0.60) | ALDH1A1CYP2C9CYP2C19TBXA2RTBXAS1 | |
| SCHEMBL9512747 | 0.72 | HSP90AA1 (0.55) | ALDH1A1POLBCYP2C9CYP2C19TBXA2R |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0811375-B1 | GLUTAMIC ACID RECEPTOR AGONIST | NIPPON SUISAN KAISHA LTD (JP) | 2001-01-03 | — | — | EP | disclosed |
| US-5955505-A | TREATING NERVE DEGENERATIVE DISORDERS | NIPPON SUISAN KAISHA, LTD. (JP) | 1999-09-21 | — | — | US | disclosed |
| EP-0811375-A1 | GLUTAMIC ACID RECEPTOR AGONIST | NIPPON SUISAN KAISHA, LTD. (JP) | 1997-12-10 | — | — | EP | disclosed |
| EP-0469901-B1 | Sulfonamide derivatives | TAISHO PHARMACEUTICAL CO LTD (JP) | 1994-10-19 | — | — | EP | disclosed |
| US-5189211-A | Thromboxane A2 antagonists | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 1993-02-23 | — | — | US | disclosed |
| EP-0469901-A1 | Sulfonamide derivatives | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1992-02-05 | — | — | EP | disclosed |