Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.43 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.41 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 4/20 | 0.41 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2599938 | 0.86 | CYP2C9 (0.54) | CYP2C9CYP2C19ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL2599931 | 0.84 | CYP3A4 (0.48) | CYP2C9CYP2C19ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL12640377 | 0.82 | CYP2C9 (0.47) | CYP2C9CYP2C19CYP3A4P2RX3P2RX2 | |
| SCHEMBL12640338 | 0.80 | KDM4E (0.53) | CYP2C9CYP2C19ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL2599923 | 0.78 | CYP3A4 (0.47) | CYP2C9CYP2C19ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL22663421 | 0.77 | CSF1R (0.52) | CYP2C9CYP2C19CYP3A4CNR1CNR2 | |
| SCHEMBL2599920 | 0.76 | NPC1 (0.52) | CYP2C19ALDH1A1MAPTCYP3A4P2RX3 | |
| SCHEMBL1883690 | 0.73 | CYP2C9 (0.84) | CYP2C9CYP2C19CYP2D6CYP3A4CSF1R | |
| SCHEMBL12640348 | 0.72 | CD38 (0.43) | CYP2C19MAPTCYP3A4PRKCQ | |
| SCHEMBL12640336 | 0.72 | ALDH1A1 (0.42) | CYP2C9CYP2C19ALDH1A1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-9096593-B2 | Compounds and methods for kinase modulation, and indications therefor | PLEXXIKON INC. (US) | 2015-08-04 | — | — | US | disclosed |
| US-9096593-B2 | Compounds and methods for kinase modulation, and indications therefor | PLEXXIKON INC. (US) | 2015-08-04 | — | — | US | disclosed |
| US-20140045840-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2014-02-13 | — | — | US | disclosed |
| US-20140045840-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2014-02-13 | — | — | US | disclosed |
| WO-2011057022-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2011-05-12 | — | — | WO | disclosed |
| US-20110112127-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. | 2011-05-12 | — | — | 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 (2 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-20110112127-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | KIT, FLT3, BRAF | CYP2C9 3884/4885CYP2C19 4018/4885ALDH1A1 2981/4885 |
| US-20140045840-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | KIT, FLT3, BRAF | CYP2C9 3884/4885CYP2C19 4018/4885ALDH1A1 2981/4885 |
“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.