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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 6/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GFER | P55789 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14089196 | 0.77 | ALDH1A1 (0.53) | ALDH1A1TSHRHTTHPGDNPSR1 | |
| SCHEMBL2420528 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TSHRHTTHPGDNPSR1 | |
| SCHEMBL3067315 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TSHRHTTHPGDNPSR1 | |
| SCHEMBL6522505 | 0.74 | ALDH1A1 (0.50) | ALDH1A1TSHRHTTHPGDNPSR1 | |
| SCHEMBL13290952 | 0.72 | ALDH1A1 (0.49) | ALDH1A1TSHRHTTHPGDNPSR1 | |
| SCHEMBL3919960 | 0.72 | HTT (0.56) | ALDH1A1TSHRHTTHPGDNPSR1 | |
| SCHEMBL23613875 | 0.68 | GFER (0.53) | ALDH1A1TSHRHTTHPGDNPSR1 | |
| SCHEMBL10638597 | 0.65 | LMNA (0.52) | ALDH1A1TSHRHTTHPGDGAA | |
| SCHEMBL5276811 | 0.62 | DUSP5 (0.32) | LMNATDP1 | |
| SCHEMBL31401862 | 0.62 | LMNA (0.43) | ALDH1A1TSHRHPGDNPSR1SMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1051655-B1 | METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY | ISTA PHARMACEUTICALS INC (US) | 2005-09-28 | — | — | EP | disclosed |
| EP-1051655-A4 | METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY | ISTA PHARMACEUTICALS INC (US) | 2003-03-19 | — | — | EP | disclosed |
| US-20010016731-A1 | Methods and apparatus for accelerated orthokeratology | DEVORE DALE (US) | 2001-08-23 | — | — | US | disclosed |
| US-6161544-A | Methods for accelerated orthokeratology | KERATOFORM, INC. (US) | 2000-12-19 | — | — | US | disclosed |
| EP-1051655-A1 | METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY | Ista Pharmaceuticals, Inc. (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999039238-A1 | METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY | KERATOFORM, INC. (US) | 1999-08-05 | — | — | WO | disclosed |