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 | |
|---|---|---|---|---|
| ▸ | RARG | P13631 | 20/20 | 0.69 |
| ▸ | RARB | P10826 | 18/20 | 0.69 |
| ▸ | RARA | P10276 | 17/20 | 0.69 |
| ▸ | RXRA | P19793 | 12/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.69 |
| ▸ | NPC1 | O15118 | 1/20 | 0.69 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.69 |
| ▸ | GMNN | O75496 | 1/20 | 0.69 |
| ▸ | USP2 | O75604 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | POLB | P06746 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | THPO | P40225 | 1/20 | 0.69 |
| ▸ | MTOR | P42345 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL7082089 | 1.00 | RARG (0.69) | RARGRARBRARARXRAKDM4E | |
| SCHEMBL9007208 | 0.90 | RARG (0.72) | RARGRARBRARARXRAKDM4E | |
| SCHEMBL7085649 | 0.90 | RARG (0.72) | RARGRARBRARARXRAKDM4E | |
| SCHEMBL9007203 | 0.90 | RARG (0.72) | RARGRARBRARARXRAKDM4E | |
| SCHEMBL5084239 | 0.89 | RARG (0.70) | RARGRARBRARARXRAKDM4E | |
| Sumarotene SCHEMBL7062910 | 0.89 | RARG (0.70) | RARGRARBRARARXRAKDM4E | |
| Sumarotene SCHEMBL449752 | 0.89 | RARG (0.70) | RARGRARBRARARXRAKDM4E | |
| SCHEMBL5084232 | 0.89 | RARG (0.70) | RARGRARBRARARXRAKDM4E | |
| SCHEMBL7082092 | 0.88 | RARG (0.69) | RARGRARBRARARXRAKDM4E | |
| Etarotene SCHEMBL636235 | 0.86 | RARG (0.67) | RARGRARBRARARXRAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4396553-A | Tetrahydronaphthalene and indane compounds useful as anti-tumor agents | HOFFMANN-LA ROCHE INC. (US) | 1983-08-02 | — | — | US | claimed |
| EP-1328262-A2 | A METHOD TO INCORPORATE N-(4-HYDROXYPHENYL) RETINAMIDE IN LIPOSOMES | Board of Regents, The University of Texas System (US) | 2003-07-23 | — | — | EP | disclosed |
| US-20020143062-A1 | Method to incorporate N-(4-hydroxyphenyl) retinamide in liposomes | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2002-10-03 | — | — | US | disclosed |
| WO-2002032413-A2 | A METHOD TO INCORPORATE N-(4-HYDROXYPHENYL) RETINAMIDE IN LIPOSOMES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2002-04-25 | — | — | WO | disclosed |
| US-4396553-A | Tetrahydronaphthalene and indane compounds useful as anti-tumor agents | HOFFMANN-LA ROCHE INC. (US) | 1983-08-02 | — | — | US | disclosed |