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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 6/20 | 0.78 |
| ▸ | NR3C1 known ✓ | P04150 | 1/20 | 0.78 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.78 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.78 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.78 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.78 |
| ▸ | ESR1 | P03372 | 8/20 | 0.78 |
| ▸ | MAPT | P10636 | 3/20 | 0.78 |
| ▸ | MEN1 | O00255 | 3/20 | 0.78 |
| ▸ | TP53 | P04637 | 3/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.78 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.78 |
| ▸ | PGR | P06401 | 2/20 | 0.78 |
| ▸ | ESRRG | P62508 | 2/20 | 0.78 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.78 |
| ▸ | HTR6 | P50406 | 2/20 | 0.78 |
| ▸ | NPC1 | O15118 | 1/20 | 0.78 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.78 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.78 |
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 | |
|---|---|---|---|---|
| SCHEMBL9857692 | 0.91 | ESR1 (0.81) | ESR1ESR2MAPTMEN1TP53 | |
| SCHEMBL9857874 | 0.91 | ESR1 (0.81) | ESR1ESR2MAPTMEN1TP53 | |
| SCHEMBL9857671 | 0.90 | ESR1 (0.80) | ESR1ESR2MAPTMEN1TP53 | |
| SCHEMBL9857878 | 0.90 | ESR1 (0.80) | ESR1ESR2MAPTMEN1TP53 | |
| SCHEMBL9857951 | 0.89 | ESR1 (0.78) | ESR1ESR2MAPTMEN1TP53 | |
| SCHEMBL29659348 | 0.88 | ESR1 (1.00) | ESR1ESR2MAPTMEN1TP53 | |
| Tamoxifen SCHEMBL17262111 | 0.88 | ESR1 (1.00) | ESR1ESR2MAPTMEN1TP53 | |
| Tamoxifen SCHEMBL4084 | 0.88 | ESR1 (1.00) | ESR1ESR2MAPTMEN1TP53 | |
| Tamoxifen SCHEMBL4085 | 0.88 | ESR1 (1.00) | ESR1ESR2MAPTMEN1TP53 | |
| Tamoxifen SCHEMBL17262082 | 0.88 | ESR1 (1.00) | ESR1ESR2MAPTMEN1TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0272330-B1 | 1,1,2-TRIARYL-1-BUTENE DERIVATIVES | TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) | 1991-05-22 | — | — | EP | disclosed |
| US-4897503-A | ANTITUMOR AGENTS; TREATING MAMMARY CANCER AND ANOVULATORY INFERTILITY | TAIHO PHARMACEUTICAL (JP) | 1990-01-30 | — | — | US | disclosed |
| EP-0272330-A1 | 1,1,2-TRIARYL-1-BUTENE DERIVATIVES | TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) | 1988-06-29 | — | — | EP | disclosed |