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 | |
|---|---|---|---|---|
| ▸ | EDNRA known ✓ | P25101 | 1/20 | 0.48 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.41 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.41 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.41 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.41 |
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.41 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31425582 | 0.89 | ALDH1A1 (0.54) | ALDH1A1MAPK1NPC1TSHRLMNA | |
| SCHEMBL2568338 | 0.89 | ALDH1A1 (0.54) | ALDH1A1MAPK1NPC1TSHRLMNA | |
| SCHEMBL1415941 | 0.86 | ALDH1A1 (0.54) | ALDH1A1MAPK1NPC1TSHRLMNA | |
| SCHEMBL30493510 | 0.86 | ALDH1A1 (0.54) | ALDH1A1MAPK1NPC1TSHRLMNA | |
| Potassium Ion SCHEMBL13719096 | 0.86 | ALDH1A1 (0.54) | ALDH1A1MAPK1NPC1TSHRLMNA | |
| SCHEMBL127422 | 0.82 | THRB (0.47) | ALDH1A1HTR6MAPK1TSHRL3MBTL1 | |
| SCHEMBL29385780 | 0.82 | THRB (0.47) | ALDH1A1HTR6MAPK1TSHRL3MBTL1 | |
| SCHEMBL6690494 | 0.82 | THRB (0.47) | ALDH1A1HTR6MAPK1TSHRL3MBTL1 | |
| SCHEMBL31399715 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TSHRLMNAHTTMEN1 | |
| SCHEMBL11308517 | 0.81 | HTR6 (0.58) | ALDH1A1HTR6MAPK1TSHRHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-4739672-A1 | NEW COMPOUNDS | Aston University (GB) | 2026-05-13 | — | — | EP | disclosed |
| WO-2025008626-A1 | NEW COMPOUNDS | ASTON UNIVERSITY (GB) | 2025-01-09 | — | — | WO | disclosed |