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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL95691 | 0.95 | TSHR (0.59) | TSHRACHEPPARDTP53TDP1 | |
| SCHEMBL413328 | 0.93 | TSHR (0.56) | TSHRACHEPPARDTP53TDP1 | |
| SCHEMBL9248074 | 0.93 | TSHR (0.56) | TSHRACHEPPARDTP53TDP1 | |
| SCHEMBL19249492 | 0.85 | TSHR (0.48) | TSHRACHEPPARDTP53TDP1 | |
| SCHEMBL25093119 | 0.85 | TSHR (0.48) | TSHRACHEPPARDTP53TDP1 | |
| SCHEMBL19399063 | 0.84 | TSHR (0.52) | TSHRACHEPPARDTP53TDP1 | |
| SCHEMBL21841220 | 0.79 | TSHR (0.46) | TSHRACHEPPARDTP53TDP1 | |
| SCHEMBL15319121 | 0.77 | TSHR (0.37) | TSHRACHEMEN1KMT2A | |
| SCHEMBL20526207 | 0.75 | TSHR (0.65) | TSHRACHEPPARDTP53TDP1 | |
| SCHEMBL2553720 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6191145-B1 | ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2001-02-20 | — | — | US | disclosed |
| EP-1028943-A2 | ORALLY-ACTIVE NIPECOTAMIDE GLYCOLAMIDE ESTERS FOR THE TREATMENT OF THROMBOSIS DISORDERS | Ortho-Mcneil Pharmaceutical, Inc. (US) | 2000-08-23 | — | — | EP | disclosed |
| US-6066651-A | ANTITHROMBOTIC AGENTS BY VIRTUE OF THEIR ABILITY TO PREVENT PLATELET AGGREGATION | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2000-05-23 | — | — | US | disclosed |
| WO-1999021832-A2 | ORALLY-ACTIVE NIPECOTAMIDE GLYCOLAMIDE ESTERS FOR THE TREATMENT OF THROMBOSIS DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 1999-05-06 | — | — | WO | disclosed |