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 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.39 |
| ▸ | STS | P08842 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL181314 | 0.99 | CYP2D6 (0.44) | CYP2D6ALDH1A1POLBTP53ENPP3 | |
| SCHEMBL9895770 | 0.96 | CYP2D6 (0.44) | CYP2D6ALDH1A1POLBTP53ENPP3 | |
| 1-Aminocyclobutane Carboxylic Acid SCHEMBL18075608 | 0.92 | CYP2D6 (0.41) | CYP2D6ALDH1A1POLBTP53ENPP3 | |
| SCHEMBL181530 | 0.82 | CYP2D6 (0.41) | CYP2D6ALDH1A1POLBTP53ENPP3 | |
| SCHEMBL2724350 | 0.79 | SMN1; SMN2 (0.46) | CYP2D6ALDH1A1TP53NPSR1HPGD | |
| SCHEMBL181350 | 0.79 | CYP2D6 (0.42) | CYP2D6ALDH1A1POLBTP53ENPP3 | |
| SCHEMBL3781529 | 0.78 | CYP2C19 (0.49) | STSCYP2C19TSHR | |
| Sulfamic Acid Cyclohexyl Ester SCHEMBL4613999 | 0.78 | CYP2D6 (0.57) | CYP2D6ALDH1A1POLBTP53ENPP3 | |
| SCHEMBL1287302 | 0.78 | CYP2D6 (0.45) | CYP2D6ALDH1A1POLBTP53NPSR1 | |
| SCHEMBL181447 | 0.77 | CYP2C19 (0.46) | STSCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-20140155439-A1 | ENZYME INHIBITORS | CHROMA THERAPEUTICS LTD. (GB) | 2014-06-05 | — | — | US | disclosed |
| US-20130303576-A1 | ENZYME INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2013-11-14 | — | — | US | disclosed |
| US-20120149736-A1 | ENZYME INHIBITORS | CHROMA THERAPEUTICS LTD. (GB) | 2012-06-14 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130303576-A1 | ENZYME INHIBITORS | HDAC1, HDAC4, HDAC3 | CYP2D6 906/4885ALDH1A1 448/4885POLB 1932/4885 |
| US-20140155439-A1 | ENZYME INHIBITORS | HDAC4, HDAC1, HDAC3 | CYP2D6 1685/4885ALDH1A1 747/4885POLB 2549/4885 |
| US-20120149736-A1 | ENZYME INHIBITORS | HAT1, HDAC1, NAT1 | CYP2D6 518/4885ALDH1A1 171/4885POLB 1737/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.