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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 11/20 | 0.70 |
| ▸ | TBXA2R | P21731 | 7/20 | 0.70 |
| ▸ | PTGDR | Q13258 | 6/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | DRD1 | P21728 | 1/20 | 0.70 |
| ▸ | CCKAR | P32238 | 1/20 | 0.70 |
| ▸ | HTR6 | P50406 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RB1 | P06400 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9870636 | 0.92 | PTGDR2 (0.83) | PTGDR2TBXA2RPTGDRABCB11CYP2C9 | |
| Ramatroban SCHEMBL1427849 | 0.91 | PTGDR2 (0.85) | PTGDR2TBXA2RPTGDRABCB11CYP2C9 | |
| Ramatroban SCHEMBL9869501 | 0.91 | PTGDR2 (0.85) | PTGDR2TBXA2RPTGDRABCB11CYP2C9 | |
| SCHEMBL9870630 | 0.91 | PTGDR2 (0.82) | PTGDR2TBXA2RPTGDRABCB11CYP2C9 | |
| SCHEMBL19799335 | 0.86 | PTGDR2 (0.82) | PTGDR2TBXA2RPTGDRABCB11CYP2C9 | |
| SCHEMBL9833660 | 0.85 | PTGDR2 (0.87) | PTGDR2TBXA2RPTGDRABCB11CYP2C9 | |
| Ramatroban SCHEMBL29031 | 0.83 | PTGDR2 (1.00) | PTGDR2TBXA2RPTGDRABCB11CYP2C9 | |
| Ramatroban SCHEMBL20769768 | 0.83 | PTGDR2 (1.00) | PTGDR2TBXA2RPTGDRABCB11CYP2C9 | |
| Ramatroban SCHEMBL29503087 | 0.83 | PTGDR2 (1.00) | PTGDR2TBXA2RPTGDRABCB11CYP2C9 | |
| Ramatroban SCHEMBL29030 | 0.83 | PTGDR2 (1.00) | PTGDR2TBXA2RPTGDRABCB11CYP2C9 |
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-4988820-A | Inhibiting platelet aggregation, anticoagulants, thromboxane a2 antagonist | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-29 | — | — | US | disclosed |
| US-4965258-A | Anticoagulant; thromboxane a2 antagonist | BAYER AKTIENGESELLSCHAFT (DE) | 1990-10-23 | — | — | US | disclosed |
| US-4904797-A | REACTING A (BENZENESULFONAMIDOALKYL)CYCLOALKANO(1,2-B)INDOLE WITH ACRYLONITRILE; HYDROLYSIS, HYDROGENATION, REDUCTION | BAYER AKTIENGESELLSCHAFT (DE) | 1990-02-27 | — | — | US | disclosed |
| US-4827032-A | INTERMEDIATES FOR ANTICOAGULANTS | BAYER AKTIENGESELLSCHAFT (DE) | 1989-05-02 | — | — | US | disclosed |