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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 known ✓ | P00742 | 3/20 | 0.45 |
| ▸ | LSS | P48449 | 2/20 | 0.50 |
| ▸ | CHKA | P35790 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL742952 | 0.83 | ITGB3 (0.60) | LSSCHKAITGB3ITGA2BNOTUM | |
| SCHEMBL2780304 | 0.81 | CYP3A4 (0.54) | LSSCHKAITGB3ITGA2BHRH3 | |
| SCHEMBL3166233 | 0.81 | LSS (0.50) | LSSCHKAITGB3ITGA2BHRH3 | |
| Hydrochloric Acid SCHEMBL3319271 | 0.81 | ITGB3 (0.59) | LSSCHKAITGB3ITGA2BHRH3 | |
| SCHEMBL5223348 | 0.81 | LSS (0.50) | LSSCHKAITGB3ITGA2BHRH3 | |
| SCHEMBL16887557 | 0.81 | CYP2C9 (0.53) | LSSCHKAITGB3ITGA2BHRH3 | |
| Hydrochloric Acid SCHEMBL6798939 | 0.80 | LSS (0.49) | LSSCHKAITGB3ITGA2BHRH3 | |
| SCHEMBL5759922 | 0.78 | MAPT (0.62) | LSSITGB3ITGA2BHRH3F10 | |
| SCHEMBL7011465 | 0.78 | F10 (0.50) | LSSITGB3ITGA2BHRH3F10 | |
| SCHEMBL16887673 | 0.78 | LSS (0.47) | LSSCHKAITGB3ITGA2BHRH3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6689780-B1 | PYRIDINE DERIVATIVES | ELI LILLY AND COMPANY | 2004-02-10 | — | — | US | disclosed |
| EP-1140905-B1 | HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA | LILLY CO ELI (US) | 2003-05-14 | — | — | EP | disclosed |