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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL357782 | 0.94 | ALDH1A1 (0.53) | ALDH1A1TP53LMNANPC1RAB9A | |
| SCHEMBL15943017 | 0.86 | CYP1A2 (0.48) | ALDH1A1TP53LMNAHPGDHSD11B1 | |
| SCHEMBL357897 | 0.82 | DHODH (0.47) | ALDH1A1TP53NPC1RAB9APOLB | |
| SCHEMBL356382 | 0.78 | — | — | |
| SCHEMBL18626812 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TP53LMNANPC1RAB9A | |
| SCHEMBL18036368 | 0.72 | — | — | |
| SCHEMBL18172362 | 0.72 | P2RX3 (0.60) | ALDH1A1TP53LMNAHTTHPGD | |
| SCHEMBL1495498 | 0.71 | TDP1 (0.64) | ALDH1A1LMNANPC1RAB9APOLB | |
| SCHEMBL357632 | 0.71 | P2RX3 (0.45) | ALDH1A1TP53LMNARAB9APOLB | |
| SCHEMBL13415725 | 0.69 | CNR2 (0.60) | ALDH1A1LMNANPC1RAB9APOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2234989-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009077371-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-25 | — | — | WO | disclosed |
| EP-2038264-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDES | F.HOFFMANN-LA ROCHE AG (CH) | 2009-03-25 | — | — | EP | disclosed |
| WO-2008000645-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-03 | — | — | WO | disclosed |