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 | 0.40 |
| ▸ | PDE4B known ✓ | Q07343 | 2/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 14/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 13/20 | 0.43 |
| ▸ | MEN1 | O00255 | 12/20 | 0.43 |
| ▸ | PKM | P14618 | 8/20 | 0.43 |
| ▸ | HPGD | P15428 | 8/20 | 0.43 |
| ▸ | RAB9A | P51151 | 8/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.43 |
| ▸ | NPC1 | O15118 | 7/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 4/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15640346 | 1.00 | ABCB1 (0.45) | ABCB1ABCG2MAPTALDH1A1KMT2A | |
| SCHEMBL4526709 | 0.88 | ABCB1 (0.45) | ABCB1ABCG2MAPTALDH1A1KMT2A | |
| SCHEMBL4526711 | 0.88 | ABCB1 (0.45) | ABCB1ABCG2MAPTALDH1A1KMT2A | |
| SCHEMBL15640345 | 0.87 | ABCB1 (0.45) | ABCB1ABCG2MAPTALDH1A1KMT2A | |
| SCHEMBL1957464 | 0.83 | ABCB1 (0.44) | ABCB1ABCG2MAPTALDH1A1KMT2A | |
| SCHEMBL1957462 | 0.83 | ABCB1 (0.44) | ABCB1ABCG2MAPTALDH1A1KMT2A | |
| SCHEMBL15640199 | 0.83 | ABCB1 (0.68) | ABCB1ABCG2MAPTALDH1A1KMT2A | |
| SCHEMBL15640201 | 0.83 | ABCB1 (0.68) | ABCB1ABCG2MAPTALDH1A1KMT2A | |
| SCHEMBL1959559 | 0.82 | ABCB1 (0.64) | ABCB1ABCG2MAPTALDH1A1KMT2A | |
| SCHEMBL1959558 | 0.82 | ABCB1 (0.64) | ABCB1ABCG2MAPTALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-8697742-B2 | BCRP/ABCG2 inhibitor | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2014-04-15 | — | — | US | disclosed |