Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 2/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.42 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | CIT | O14578 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15059574 | 0.81 | PDE3B (0.61) | PDE3BPDE3ANUDT1EGLN1TRPA1 | |
| SCHEMBL9936674 | 0.80 | PDE3B (0.42) | PDE3BPDE3ANUDT1EGLN1TRPA1 | |
| SCHEMBL1655505 | 0.77 | KDM4E (0.46) | PDE3BPDE3ANUDT1EGLN1TRPA1 | |
| SCHEMBL15753484 | 0.77 | HPGDS (0.47) | NUDT1HPGDSPIK3C3CIT | |
| SCHEMBL13178570 | 0.70 | PDE3B (0.57) | PDE3BPDE3ANUDT1TRPA1DRD1 | |
| SCHEMBL3297650 | 0.70 | CNR2 (0.52) | — | |
| SCHEMBL13545152 | 0.70 | TUBB4A (0.49) | HPGDS | |
| SCHEMBL24774355 | 0.70 | KMT2A (0.45) | EGLN1 | |
| SCHEMBL3887252 | 0.68 | NUDT1 (0.51) | NUDT1NTRK1 | |
| SCHEMBL14062157 | 0.68 | NUDT1 (0.40) | PDE3BPDE3ANUDT1TRPA1DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104011050-A | 2, 4-diamino-pyrimidine derivatives as serine/threonine kinase inhibitors | HOFFMANN LA ROCHE | 2014-08-27 | — | — | CN | disclosed |