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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL631249 | 1.00 | MAPK1 (0.35) | MAPK1ALDH1A1HPGDCYP1A2KDM4C | |
| Potassium Ion SCHEMBL8056549 | 0.96 | MAPK1 (0.35) | MAPK1ALDH1A1HPGDCYP1A2KDM4C | |
| SCHEMBL10831559 | 0.81 | ALDH1A1 (0.38) | MAPK1ALDH1A1HPGDCYP1A2KDM4C | |
| SCHEMBL829258 | 0.80 | ALDH1A1 (0.47) | MAPK1ALDH1A1HPGDCYP1A2KDM4C | |
| SCHEMBL11356709 | 0.79 | CA1 (0.34) | CYP1A2 | |
| SCHEMBL8056548 | 0.78 | ALDH1A1 (0.46) | MAPK1ALDH1A1HPGDCYP1A2KDM4C | |
| SCHEMBL7764225 | 0.78 | MAPK1 (0.36) | MAPK1ALDH1A1HPGDCYP1A2KDM4C | |
| SCHEMBL7764233 | 0.78 | MAPK1 (0.36) | MAPK1ALDH1A1HPGDCYP1A2KDM4C | |
| SCHEMBL10831333 | 0.78 | MAPK1 (0.40) | MAPK1ALDH1A1HPGD | |
| SCHEMBL11363558 | 0.78 | EPHX2 (0.36) | CYP1A2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4324892-A | 7-(N-Substituted-2-phenylglycinamido)-3-substituted-3-cephem-4-carboxylic acid compounds | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1982-04-13 | — | — | US | disclosed |
| US-4316016-A | TRIMETHYLSILYL DERIVATIVES | BRISTOL-MYERS COMPANY (US) | 1982-02-16 | — | — | US | disclosed |
| US-4316017-A | TRIMETHYLSILYL DERIVATIVES | BRISTOL-MYERS COMPANY (US) | 1982-02-16 | — | — | US | disclosed |
| US-4297489-A | CEPHALOSPORINS | BRISTOL-MYERS COMPANY (US) | 1981-10-27 | — | — | US | disclosed |
| US-4223135-A | CARBONYLATION, ACYLATION | BRISTOL-MYERS COMPANY (US) | 1980-09-16 | — | — | US | disclosed |
| US-4182863-A | ANTIBACTERIAL | BRISTOL-MYERS COMPANY (US) | 1980-01-08 | — | — | US | disclosed |
| US-4172198-A | ANTIBIOTICS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1979-10-23 | — | — | US | disclosed |
| US-4172196-A | CEPHALOSPORINS | BRISTOL-MYERS COMPANY (US) | 1979-10-23 | — | — | US | disclosed |
| US-4100346-A | Certain 7(o-amino-methyl- or methylaminomethylphenyl- or cyclohexadienyl- or thienylacetamide)-3[1-carboxymethyl-(or ethyl- or propyl-)-tetrazol-5-ylthiomethyl]-3-cephem-4-carboxylic acids | BRISTOL-MYERS COMPANY (US) | 1978-07-11 | — | — | US | disclosed |