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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 4/20 | 0.60 |
| ▸ | CCND1 | P24385 | 4/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9491094 | 0.87 | CDK4 (0.62) | CDK4CCND1HTTALDH1A1LMNA | |
| SCHEMBL8122231 | 0.81 | CYP24A1 (0.62) | CDK4CCND1HTTALDH1A1LMNA | |
| Potassium Ion SCHEMBL11621862 | 0.78 | CDK4 (0.53) | CDK4CCND1HTTALDH1A1LMNA | |
| SCHEMBL31083788 | 0.76 | CDK4 (0.70) | CDK4CCND1HTTALDH1A1LMNA | |
| SCHEMBL3995842 | 0.76 | CDK4 (0.70) | CDK4CCND1HTTALDH1A1LMNA | |
| SCHEMBL5428812 | 0.76 | HTT (0.60) | CDK4CCND1HTTALDH1A1LMNA | |
| Potassium Ion SCHEMBL11621859 | 0.75 | CDK4 (0.56) | CDK4CCND1HTTALDH1A1LMNA | |
| Potassium Ion SCHEMBL11621864 | 0.74 | CDK4 (0.51) | CDK4CCND1HTTALDH1A1LMNA | |
| SCHEMBL4863420 | 0.74 | CDK4 (0.78) | CDK4CCND1HTTLMNAMTNR1A | |
| SCHEMBL30418240 | 0.74 | CDK4 (0.66) | CDK4CCND1HTTALDH1A1LMNA |
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-4249003-A | Process for polycyclic amines | AKTIEBOLAGET LEO (SE) | 1981-02-03 | — | — | US | disclosed |
| US-4249002-A | Polycyclic amines and intermediates therefor | AKTIEBOLAGET LEO (SE) | 1981-02-03 | — | — | US | disclosed |