Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CSK | P41240 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16805023 | 0.78 | CYP17A1 (0.55) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2A6 | |
| SCHEMBL21128378 | 0.77 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6ALDH1A1MAPK11 | |
| SCHEMBL21033797 | 0.76 | ALDH1A1 (0.50) | CYP3A4CA12CA1CA2CA9 | |
| SCHEMBL19594886 | 0.72 | SIGMAR1 (0.40) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2A6 | |
| SCHEMBL21034043 | 0.72 | TNF (0.50) | CYP1A2CA12CA1CA2CA9 | |
| SCHEMBL28102668 | 0.72 | DPP4 (0.42) | CYP1A2CYP3A4CYP2D6ALDH1A1KDM4E | |
| SCHEMBL1603653 | 0.71 | DHFR (0.44) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9028766 | 0.71 | ATM (0.46) | CYP1A2CYP3A4CYP2D6ALDH1A1CYP2A6 | |
| SCHEMBL2951873 | 0.71 | ALDH1A1 (0.44) | ALDH1A1CYP2A6BCHEDHFRCYP11B2 | |
| SCHEMBL30125497 | 0.71 | ALDH1A1 (0.44) | ALDH1A1CYP2A6BCHEDHFRCYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| US-10305041-B2 | Organic light-emitting device | SAMSUNG DISPLAY CO., LTD. (KR) | 2019-05-28 | — | — | US | disclosed |