Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.37 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.37 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.37 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7385564 | 0.78 | CYP2A6 (0.46) | CYP2A6ALDH1A1HTTCYP19A1KDM4E | |
| SCHEMBL2266164 | 0.78 | CYP2A6 (0.46) | CYP2A6ALDH1A1HTTCYP19A1KDM4E | |
| SCHEMBL6201138 | 0.77 | GSK3B (0.44) | GSK3B | |
| SCHEMBL30187789 | 0.77 | CYP19A1 (0.46) | CYP2A6ALDH1A1HTTCYP19A1KDM4E | |
| SCHEMBL6077332 | 0.75 | CYP2A6 (0.43) | CYP2A6ALDH1A1HTTCYP19A1CA2 | |
| SCHEMBL6205272 | 0.75 | CYP2A6 (0.43) | CYP2A6ALDH1A1HTTGSK3BCYP19A1 | |
| SCHEMBL27480613 | 0.73 | CYP2A6 (0.41) | CYP2A6ALDH1A1HTTCYP19A1KDM4E | |
| SCHEMBL6202338 | 0.73 | CYP1A2 (0.43) | CYP2A6ALDH1A1KDM4EMAPT | |
| SCHEMBL18965803 | 0.72 | TSHR (0.48) | CYP2A6ALDH1A1HTTCYP19A1TSHR | |
| SCHEMBL11032485 | 0.72 | KIF11 (0.46) | CYP2A6ALDH1A1CYP19A1CA2CA9 |
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 |