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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.50 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.48 |
| ▸ | PDK1 known ✓ | Q15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | RAB9A | P51151 | 6/20 | 0.57 |
| ▸ | NPC1 | O15118 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | PKM | P14618 | 2/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.57 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.57 |
| ▸ | RELA | Q04206 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9360112 | 0.98 | ALDH1A1 (0.62) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL6319718 | 0.82 | ALDH1A1 (0.66) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL759146 | 0.81 | ALDH1A1 (0.60) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL28727291 | 0.81 | SMN1; SMN2 (0.65) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL2170056 | 0.81 | ALDH1A1 (0.64) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL836745 | 0.81 | SMN1; SMN2 (0.65) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL28487128 | 0.81 | ALDH1A1 (0.55) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL7706764 | 0.79 | THRB (0.56) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL569032 | 0.79 | ALDH1A1 (0.67) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| Hydrochloric Acid SCHEMBL3610419 | 0.79 | SMN1; SMN2 (0.63) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD |
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-2734505-A1 | 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2014-05-28 | — | — | EP | disclosed |
| WO-2013011033-A1 | 3-(FLUORVINYL)PYRAZOLES AND THE USE THEREOF | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-01-24 | — | — | WO | disclosed |