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 | |
|---|---|---|---|---|
| ▸ | PDE3B known ✓ | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.31 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | F11 | P03951 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 2/20 | 0.31 |
| ▸ | F7 | P08709 | 2/20 | 0.31 |
| ▸ | F3 | P13726 | 2/20 | 0.31 |
| ▸ | CMA1 | P23946 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.31 |
| ▸ | NMT1 | P30419 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | S100A4 | P26447 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL29494700 | 0.79 | LMNA (0.45) | CYP2A6PDE3BPDE3AHTTCA9 | |
| SCHEMBL1583769 | 0.79 | LMNA (0.45) | CYP2A6PDE3BPDE3AHTTCA9 | |
| SCHEMBL749971 | 0.78 | LMNA (0.42) | CYP2A6NMT1TSHRMAPK1CA12 | |
| SCHEMBL947437 | 0.78 | CYP2A6 (0.46) | CYP2A6F11MAOBAHRF7 | |
| SCHEMBL15959320 | 0.78 | CYP2A6 (0.46) | CYP2A6F11MAOBAHRF7 | |
| Water SCHEMBL11627421 | 0.76 | LMNA (0.40) | CYP2A6NMT1TSHRMAPK1CA12 | |
| SCHEMBL5632523 | 0.76 | CYP2A6 (0.45) | CYP2A6AHRNR4A2NMT1 | |
| SCHEMBL5633093 | 0.76 | CYP2A6 (0.45) | CYP2A6F11MAOBAHRF7 | |
| SCHEMBL1466276 | 0.75 | TSHR (0.43) | NMT1TSHRHTT | |
| SCHEMBL3152254 | 0.75 | LMNA (0.45) | CYP2A6PDE3BPDE3AHTTCA9 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7173025-B1 | Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents | ZENECA LIMITED (GB) | 2007-02-06 | — | — | US | disclosed |
| EP-0880502-B1 | AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS | ASTRAZENECA AB (SE) | 2004-09-01 | — | — | EP | disclosed |
| US-20030207882-A1 | Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents | ZENECA LIMITED | 2003-11-06 | — | — | US | disclosed |
| US-20030187023-A1 | Sulfone derivatives, process for their production and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2003-10-02 | — | — | US | disclosed |
| EP-1302462-A1 | SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2003-04-16 | — | — | EP | disclosed |
| EP-0880502-A1 | AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS | ZENECA LIMITED (GB) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997028129-A1 | AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS | ZENECA LIMITED (GB) | 1997-08-07 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030187023-A1 | Sulfone derivatives, process for their production and use thereof | SULT1E1, RRS1, SHH | PDE3B 4859/4885PDE3A 4834/4885CA12 3191/4885 |
| US-20030207882-A1 | Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents | F2, SERPINC1, F11 | PDE3B 513/4885PDE3A 691/4885CA12 3505/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.