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 | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | RORC | P51449 | 4/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | TP53 | P04637 | 3/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | THPO | P40225 | 1/20 | 0.61 |
| ▸ | MTOR | P42345 | 1/20 | 0.61 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL231222 | 0.98 | KMT2A (0.63) | KMT2ARORCCYP3A4MAPTMEN1 | |
| SCHEMBL6392429 | 0.96 | KMT2A (0.61) | KMT2ARORCCYP3A4MAPTMEN1 | |
| Hydrochloric Acid SCHEMBL6202524 | 0.96 | KMT2A (0.61) | KMT2ARORCCYP3A4MAPTMEN1 | |
| SCHEMBL27637460 | 0.89 | KMT2A (0.55) | KMT2ARORCCYP3A4MAPTMEN1 | |
| SCHEMBL6392416 | 0.86 | HSD17B10 (0.58) | KMT2ARORCCYP3A4MAPTMEN1 | |
| SCHEMBL10953243 | 0.85 | HSD17B10 (0.62) | KMT2ARORCCYP3A4MAPTMEN1 | |
| SCHEMBL9074113 | 0.84 | RORC (0.53) | KMT2ARORCCYP3A4MAPTMEN1 | |
| SCHEMBL231457 | 0.84 | KMT2A (0.72) | KMT2ACYP3A4MAPTMAPK1SMN1; SMN2 | |
| SCHEMBL398463 | 0.84 | HSD17B10 (0.60) | KMT2ARORCCYP3A4MAPTMEN1 | |
| SCHEMBL1789120 | 0.82 | KMT2A (0.75) | KMT2ARORCCYP3A4MAPTMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102329237-A | Production process of 2-chloro-5-nitrobenzoic acid | GUANNAN YISITE CHEMICAL CO LTD | 2012-01-25 | — | — | CN | claimed |
| CN-102329237-A | Production process of 2-chloro-5-nitrobenzoic acid | GUANNAN YISITE CHEMICAL CO LTD | 2012-01-25 | — | — | CN | disclosed |
| EP-0902683-A1 | AGONISTS IN THE COSTIMULATION OF TcR/CD3-INDUCED T-LYMPHOCYTES | RADOPATH LIMITED (GB) | 1999-03-24 | — | — | EP | disclosed |
| WO-1997034593-A1 | AGONISTS IN THE COSTIMULATION OF TcR/CD3-INDUCED T-LYMPHOCYTES | RADOPATH LIMITED (GB) | 1997-09-25 | — | — | WO | disclosed |
| WO-1996029067-A1 | ANTI-VIRAL AND ANTI-CANCER AGENTS | RADOPATH LIMITED (GB) | 1996-09-26 | — | — | WO | disclosed |