Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | YTHDC1 | Q96MU7 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4565801 | 0.84 | CDK2 (0.48) | — | |
| SCHEMBL1590863 | 0.80 | NPC1 (0.50) | YTHDC1CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL1590820 | 0.71 | PDGFRA (0.58) | — | |
| SCHEMBL12727080 | 0.71 | PDGFRA (0.58) | — | |
| SCHEMBL30677365 | 0.71 | CYP2D6 (0.65) | YTHDC1CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL17815588 | 0.70 | YTHDC1 (0.57) | YTHDC1CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL19714621 | 0.70 | YTHDC1 (0.57) | YTHDC1CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL7288482 | 0.70 | EPHX1 (0.69) | EPHX1NOS3NOS1NOS2 | |
| SCHEMBL15280412 | 0.70 | EHMT2 (0.68) | NOS3NOS1NOS2 | |
| SCHEMBL4372360 | 0.70 | CDK2 (0.67) | — |
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-1656378-A2 | COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF RECEPTOR TYROSINE KINASE ACTIVITY | IRM LLC (BM) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005016528-A2 | 6-SUBSTITUTED ANILINO PURINES AS RTK INHIBITORS | IRM LLC (BM) | 2005-02-24 | — | — | WO | disclosed |