Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | KIF11 | P52732 | 2/20 | 0.54 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.43 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.42 |
| ▸ | ENPP3 | O14638 | 5/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 4/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL408478 | 0.92 | CA1 (0.68) | CA1CA2CA9KIF11CXCR2 | |
| SCHEMBL28831379 | 0.91 | CA1 (0.58) | CA1CA2CA9KIF11CXCR2 | |
| SCHEMBL31306825 | 0.90 | CA1 (0.66) | CA1CA2CA9KIF11CXCR2 | |
| SCHEMBL26549580 | 0.87 | KIF11 (0.71) | CA1CA2CA9KIF11PPARA | |
| Potassium Ion SCHEMBL28015495 | 0.84 | CA1 (0.58) | CA1CA2CA9KIF11CXCR2 | |
| SCHEMBL576035 | 0.82 | CA2 (0.50) | CA1CA2CA9KIF11CXCR2 | |
| SCHEMBL17456533 | 0.81 | CA1 (0.63) | CA1CA2CA9KIF11ENPP3 | |
| SCHEMBL9082186 | 0.80 | EPHX2 (0.67) | CA1CA2CA9ENPP3ENPP1 | |
| SCHEMBL28390592 | 0.80 | CA2 (0.73) | CA1CA2CA9KIF11ENPP3 | |
| SCHEMBL29105128 | 0.79 | CA1 (0.61) | CA1CA2CA9KIF11ENPP3 |
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-0584222-A4 | BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE | RHONE POULENC RORER INT (US) | 1994-07-06 | — | — | EP | disclosed |
| EP-0584222-A1 | BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE. | RHONE POULENC RORER INT (US) | 1994-03-02 | — | — | EP | disclosed |