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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.51 |
| ▸ | MAPT | P10636 | 7/20 | 0.51 |
| ▸ | MEN1 | O00255 | 7/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11060114 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4 | |
| SCHEMBL809030 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4 | |
| SCHEMBL11115807 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4 | |
| SCHEMBL11059512 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4 | |
| SCHEMBL16838612 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4 | |
| SCHEMBL1193344 | 0.78 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4 | |
| SCHEMBL1153284 | 0.78 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4 | |
| SCHEMBL8554767 | 0.78 | KMT2A (0.55) | ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4 | |
| SCHEMBL11841714 | 0.77 | ALDH1A1 (0.69) | ALDH1A1CYP1A2CYP2C19HIF1ACYP3A4 | |
| SCHEMBL2573296 | 0.77 | CA2 (0.48) | ALDH1A1KMT2AMAPTMEN1KDM4E |
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-0122155-A2 | Improvements in or relating to naphthylglycyl cephalosporin derivatives | ELI LILLY AND COMPANY (US) | 1984-10-17 | — | — | EP | disclosed |
| US-4474780-A | STABLE | ELI LILLY AND COMPANY (US) | 1984-10-02 | — | — | US | disclosed |