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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 3/20 | 0.73 |
| ▸ | MEN1 | O00255 | 3/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.73 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.73 |
| ▸ | TP53 | P04637 | 1/20 | 0.73 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.73 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.64 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL7603966 | 0.90 | ABCB1 (0.74) | ABCB1MEN1KMT2AABCG2TP53 | |
| SCHEMBL7608744 | 0.89 | ABCB1 (0.73) | ABCB1MEN1KMT2AABCG2TP53 | |
| Recoflavone SCHEMBL7603759 | 0.87 | ABCB1 (0.57) | ABCB1MEN1KMT2AABCG2TP53 | |
| SCHEMBL7605852 | 0.86 | ABCB1 (0.78) | ABCB1MEN1KMT2AABCG2TP53 | |
| Sinensetin SCHEMBL29549544 | 0.85 | ABCB1 (1.00) | ABCB1MEN1KMT2AABCG2TP53 | |
| Sinensetin SCHEMBL29700880 | 0.85 | ABCB1 (1.00) | ABCB1MEN1KMT2AABCG2TP53 | |
| Sinensetin SCHEMBL621101 | 0.85 | ABCB1 (1.00) | ABCB1MEN1KMT2AABCG2TP53 | |
| SCHEMBL7605301 | 0.83 | CYP1B1 (0.78) | ABCB1MEN1KMT2AABCG2TP53 | |
| SCHEMBL8068919 | 0.83 | ABCB1 (0.73) | ABCB1MEN1KMT2AABCG2TP53 | |
| Sinensetin SCHEMBL7020909 | 0.81 | CYP1B1 (0.95) | ABCB1MEN1KMT2AABCG2TP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0915864-B1 | GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE | DONG A PHARM CO LTD (KR) | 2002-09-04 | — | — | EP | disclosed |