Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL181530 | 0.97 | CYP2D6 (0.41) | CYP2D6ALDH1A1POLBTP53CYP3A4 | |
| SCHEMBL9895770 | 0.82 | CYP2D6 (0.44) | CYP2D6ALDH1A1POLBTP53CYP3A4 | |
| SCHEMBL181314 | 0.80 | CYP2D6 (0.44) | CYP2D6ALDH1A1POLBTP53CYP3A4 | |
| SCHEMBL9895531 | 0.79 | CYP2D6 (0.43) | CYP2D6ALDH1A1POLBTP53CYP3A4 | |
| 1-Aminocyclobutane Carboxylic Acid SCHEMBL18075608 | 0.78 | CYP2D6 (0.41) | CYP2D6ALDH1A1POLBTP53CYP3A4 | |
| SCHEMBL3427035 | 0.76 | CYP2C19 (0.42) | ALDH1A1CYP2C19NPSR1HTT | |
| SCHEMBL17392902 | 0.76 | CYP3A4 (0.48) | CYP2D6ALDH1A1POLBTP53CYP3A4 | |
| SCHEMBL181267 | 0.75 | EPHX1 (0.40) | CYP2C19LMNANPSR1HTT | |
| SCHEMBL17393693 | 0.74 | CYP3A4 (0.48) | CYP2D6ALDH1A1POLBTP53CYP3A4 | |
| SCHEMBL1287308 | 0.72 | CYP2D6 (0.46) | CYP2D6ALDH1A1POLBTP53CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2401257-A1 | ENZYME INHIBITORS | Chroma Therapeutics Ltd. (GB) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097586-A1 | ENZYME INHIBITORS | CHROMA THERAPEUTICS LTD. (GB) | 2010-09-02 | — | — | WO | disclosed |