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 | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.61 |
| ▸ | PTGIR known ✓ | P43119 | 2/20 | 0.61 |
| ▸ | PDE4D known ✓ | Q08499 | 2/20 | 0.61 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.55 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.61 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.61 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.61 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.61 |
| ▸ | DRD1 | P21728 | 1/20 | 0.61 |
| ▸ | CKS1B | P61024 | 9/20 | 0.55 |
| ▸ | SKP1 | P63208 | 9/20 | 0.55 |
| ▸ | SKP2 | Q13309 | 9/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | CNR1 | P21554 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL5214713 | 0.91 | NR1I2 (0.74) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL5210823 | 0.90 | NR1I2 (0.72) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL5214922 | 0.87 | NR1I2 (0.56) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| Laselipag SCHEMBL28689935 | 0.86 | NR1I2 (0.83) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL5214425 | 0.85 | NR1I2 (0.58) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| Laselipag SCHEMBL30605681 | 0.84 | NR1I2 (0.83) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL18614742 | 0.84 | CKS1B (0.78) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL27540724 | 0.81 | NR1I2 (0.56) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL5211664 | 0.79 | PTGIR (0.51) | NR1I2ADORA3TBXA2RAGTR1PTGIR | |
| SCHEMBL28693560 | 0.78 | NR1I2 (0.68) | NR1I2ADORA3TBXA2RAGTR1PTGIR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7205302-B2 | Anticoagulants; antilipemic agents; cardiovascular disorders | NIPPON SHINYAKU CO., LTD. (JP) | 2007-04-17 | — | — | US | disclosed |
| US-20040102436-A1 | Heterocyclic compound derivatives and medicines | NIPPON SHINYAKU CO., LTD. (JP) | 2004-05-27 | — | — | US | disclosed |
| EP-1400518-A1 | HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES | Nippon Shinyaku Co., Ltd. (JP) | 2004-03-24 | — | — | EP | 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 (1 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-20040102436-A1 | Heterocyclic compound derivatives and medicines | CNR2, CNR1, GPR55 | ADORA3 279/4885PTGIR 30/4885PDE4D 1426/4885 |
“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.