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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 9/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 5/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL344731 | 0.97 | CYP2D6 (0.55) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL29990821 | 0.97 | CYP2D6 (0.55) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL3689498 | 0.97 | CYP2D6 (0.55) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL168389 | 0.97 | CYP2D6 (0.55) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL272147 | 0.88 | CYP2D6 (0.46) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL14489658 | 0.88 | CYP2D6 (0.46) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL272149 | 0.88 | CYP2D6 (0.46) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL3414965 | 0.84 | CYP1A2 (0.51) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL1968178 | 0.84 | CYP2D6 (0.47) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL1968182 | 0.84 | CYP2D6 (0.47) | CYP2D6CA1CA2CA7CTSK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008109991-A1 | INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER | UNIVERSITY HEALTH NETWORK (CA) | 2008-09-18 | — | — | WO | disclosed |