Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL27510138 | 0.85 | CYP1A2 (0.47) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL3259923 | 0.85 | CYP1A2 (0.47) | CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1 | |
| SCHEMBL21036133 | 0.83 | CYP1A2 (0.39) | CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1 | |
| SCHEMBL3377895 | 0.82 | CYP1A2 (0.41) | CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1 | |
| SCHEMBL31172444 | 0.80 | CYP3A4 (0.50) | CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1 | |
| SCHEMBL1161369 | 0.80 | CYP3A4 (0.50) | CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1 | |
| SCHEMBL29565104 | 0.79 | — | — | |
| SCHEMBL71324 | 0.79 | — | — | |
| SCHEMBL28930001 | 0.79 | ALDH1A1 (0.50) | CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1 | |
| SCHEMBL1702636 | 0.78 | CYP3A4 (0.48) | CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3490023-B1 | COMPOSITION, THIN FILM INCLUDING THE COMPOSITION, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE THIN FILM | SAMSUNG ELECTRONICS CO LTD (KR) | 2020-04-22 | — | — | EP | disclosed |