Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CHAT | P28329 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | XDH | P47989 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3819677 | 0.79 | RELA (0.55) | RELACHRM5CYP1A2CYP2C19HPGD | |
| SCHEMBL6204379 | 0.79 | CHRM5 (0.53) | RELACHRM5CYP1A2NFE2L2CYP3A4 | |
| SCHEMBL6203560 | 0.79 | ALDH1A1 (0.46) | MAPTXDHIDO1AGXTEGFR | |
| SCHEMBL6204739 | 0.79 | NFE2L2 (0.49) | RELACHRM5CYP1A2NFE2L2CYP2D6 | |
| SCHEMBL5410674 | 0.77 | TRPA1 (0.39) | RELACYP1A2NFE2L2TP53MEN1 | |
| SCHEMBL6202337 | 0.76 | TUBB4A (0.48) | CYP1A2MAPTMEN1KMT2A | |
| SCHEMBL27624827 | 0.76 | TRPA1 (0.41) | CYP2C19CYP2C9MAPTMEN1KMT2A | |
| SCHEMBL6204213 | 0.76 | RELA (0.45) | RELACHRM5CYP1A2CYP2C19HPGD | |
| SCHEMBL16953020 | 0.74 | RELA (0.50) | RELACHRM5CYP1A2CYP2C19HPGD | |
| SCHEMBL6203967 | 0.71 | MAOB (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1668601-A | N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2005-09-14 | — | — | CN | disclosed |
| 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 |