Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL14920678 | 0.81 | RPS6KA1 (0.39) | RPS6KA1 | |
| SCHEMBL14920199 | 0.78 | ALDH1A1 (0.40) | SMN1; SMN2ALDH1A1RAB9ANPC1KDM4E | |
| SCHEMBL30932891 | 0.74 | SMN1; SMN2 (0.75) | SMN1; SMN2ALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL14919976 | 0.74 | MAPK1 (0.49) | SMN1; SMN2ALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL22589144 | 0.73 | SMN1; SMN2 (0.42) | SMN1; SMN2ALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL29467981 | 0.72 | RPS6KA1 (0.42) | RPS6KA1L3MBTL1 | |
| SCHEMBL19085509 | 0.72 | RPS6KA1 (0.47) | RPS6KA1L3MBTL1 | |
| SCHEMBL14920053 | 0.72 | RPS6KA1 (0.42) | RPS6KA1L3MBTL1 | |
| SCHEMBL19083121 | 0.71 | RPS6KA1 (0.41) | KDM4ERPS6KA1L3MBTL1LMNA | |
| SCHEMBL506706 | 0.71 | KDM4A (0.44) | HPGDRAB9ANPC1PKMCRHBP |
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-2773613-A1 | SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION | Astex Therapeutics Limited (GB) | 2014-09-10 | — | — | EP | disclosed |
| WO-2013064538-A1 | SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION | ASTEX THERAPEUTICS LIMITED (GB) | 2013-05-10 | — | — | WO | disclosed |