Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 8/20 | 0.36 |
| ▸ | NPC1 | O15118 | 7/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14301805 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL16806045 | 0.77 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2089942 | 0.77 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6652856 | 0.69 | FGFR1 (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL17561707 | 0.69 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL13135748 | 0.68 | KDM4E (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL353025 | 0.68 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL10644015 | 0.68 | KDM4E (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL24463614 | 0.67 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL614873 | 0.67 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 |
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-2855453-B1 | BENZIMIDAZOLE-PROLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2016-12-07 | — | — | EP | disclosed |