Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6204070 | 0.79 | AOC3 (0.50) | CES2CES1IDO1TDO2AOC3 | |
| SCHEMBL6206391 | 0.76 | AOC3 (0.44) | IDO1TDO2AOC3SLC6A2SLC6A4 | |
| SCHEMBL29243058 | 0.76 | CES2 (0.38) | CES2CES1CA12CA1CA9 | |
| SCHEMBL6204080 | 0.75 | IDO1 (0.36) | CES2CES1CA12CA1CA9 | |
| SCHEMBL6203796 | 0.74 | CES2 (0.32) | CES2CES1 | |
| SCHEMBL6205134 | 0.73 | ALDH1A1 (0.38) | AOC3CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23081466 | 0.73 | GAA (0.32) | CYP3A4SLC6A2SLC6A4SLC6A3KDM4E | |
| SCHEMBL1321039 | 0.72 | CES2 (0.46) | CES2CES1CA12CA1CA9 | |
| SCHEMBL4094087 | 0.72 | CES2 (0.46) | CES2CES1CA12CA1CA9 | |
| SCHEMBL1154665 | 0.72 | CES2 (0.46) | CES2CES1CA12CA1CA9 |
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-1506175-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003097609-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2003-11-27 | — | — | WO | disclosed |