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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 11/20 | 0.44 |
| ▸ | GSTM2 | P28161 | 11/20 | 0.44 |
| ▸ | MYC | P01106 | 3/20 | 0.42 |
| ▸ | MAX | P61244 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.40 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.40 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5714474 | 0.90 | GSTP1 (0.47) | GSTP1GSTM2MYCMAXIDO1 | |
| SCHEMBL5713701 | 0.89 | GSTP1 (0.48) | GSTP1GSTM2MYCMAXIDO1 | |
| SCHEMBL5713732 | 0.88 | GSTP1 (0.45) | GSTP1GSTM2MYCMAXIDO1 | |
| SCHEMBL5714466 | 0.87 | GSTP1 (0.47) | GSTP1GSTM2MYCMAXIDO1 | |
| SCHEMBL5713929 | 0.87 | GSTP1 (0.46) | GSTP1GSTM2MYCMAXIDO1 | |
| SCHEMBL5713694 | 0.86 | GSTP1 (0.48) | GSTP1GSTM2MYCMAXIDO1 | |
| SCHEMBL5713930 | 0.85 | GSTP1 (0.47) | GSTP1GSTM2MYCMAXIDO1 | |
| SCHEMBL5713806 | 0.84 | GSTP1 (0.51) | GSTP1GSTM2IDO1MEN1KMT2A | |
| SCHEMBL5714132 | 0.84 | GSTP1 (0.48) | GSTP1GSTM2MYCMAXIDO1 | |
| SCHEMBL5713923 | 0.83 | GSTP1 (0.50) | GSTP1GSTM2MYCMAXIDO1 |
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-1261591-B1 | 7-NITRO-2,1,3-BENZOXADIAZOLE DERIVATIVES AND 7-NITRO-2,1,3-BENZTHIADIAZOLE DERIVATIVES AND DYES, WHICH CONTAIN THESE COMPOUNDS AND WHICH ARE USED FOR DYING KERATIN FIBERS | WELLA AG (DE) | 2006-03-08 | — | — | EP | claimed |
| US-6726730-B2 | HAIR DYES WHICH ARE READILY SOLUBLE IN WATER AND DISTINGUISHED BY UNIFORM ABSORPTION BEHAVIOR AND HIGH WASHING STABILITY; ENABLE DYEING UNDER GENTLE AND SKIN-COMPATIBLE CONDITIONS | WELLA AKTIENGESELLSCHAFT (DE) | 2004-04-27 | — | — | US | claimed |