Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.52 |
| ▸ | KIT | P10721 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD5 | P21918 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | HTR1D | P28221 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14705849 | 0.90 | NTRK1 (0.49) | NTRK1KITLTA4HDRD1DRD4 | |
| SCHEMBL14197571 | 0.87 | NTRK1 (0.45) | NTRK1KITLTA4HDRD1DRD4 | |
| SCHEMBL15316822 | 0.81 | CYP3A4 (0.44) | NTRK1KITLTA4HALDH1A1CYP3A4 | |
| SCHEMBL1267483 | 0.81 | CYP3A4 (0.54) | NTRK1KITDRD1HTR1ACYP3A4 | |
| SCHEMBL1267328 | 0.79 | CSF1R (0.68) | NTRK1KITDRD1HTR1ACYP3A4 | |
| SCHEMBL14194083 | 0.75 | CYP3A4 (0.40) | NTRK1KITLTA4HDRD1HTR1A | |
| SCHEMBL12338615 | 0.72 | CSF1R (0.57) | KITLTA4HDRD1HTR1ACYP3A4 | |
| SCHEMBL374497 | 0.72 | LTA4H (0.67) | LTA4HKDM4EALDH1A1CA12CA1 | |
| SCHEMBL16343775 | 0.71 | NTRK1 (0.62) | NTRK1KITLTA4HKDM4EACHE | |
| SCHEMBL1267865 | 0.71 | CD274 (0.53) | NTRK1LTA4HKDM4EALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2739143-B1 | PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5- MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS | FLYNN GARY A (US) | 2018-07-11 | — | — | EP | disclosed |