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 | |
|---|---|---|---|---|
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24183536 | 0.97 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL30380328 | 0.97 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL29787297 | 0.90 | SMN1; SMN2 (0.48) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL29787295 | 0.90 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL24183453 | 0.90 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL24183447 | 0.87 | SMN1; SMN2 (0.51) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL24183460 | 0.86 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL29787263 | 0.86 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL24183451 | 0.86 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL29787242 | 0.86 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4021905-A1 | INHIBITORS OF ADRENORECEPTOR ADRAC2 | Bayer Aktiengesellschaft (DE) | 2022-07-06 | — | — | EP | disclosed |