Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ERBB3 | P21860 | 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 | |
|---|---|---|---|---|
| SCHEMBL28051953 | 0.85 | NPC1 (0.56) | SMN1; SMN2RAB9AALDH1A1NPC1RECQL | |
| SCHEMBL3819188 | 0.79 | SMN1; SMN2 (0.51) | SMN1; SMN2RAB9AALDH1A1NPC1POLB | |
| SCHEMBL5144566 | 0.79 | NUDT1 (0.56) | SMN1; SMN2RAB9AALDH1A1NPC1POLB | |
| SCHEMBL2567649 | 0.77 | SMN1; SMN2 (0.54) | SMN1; SMN2RAB9AALDH1A1NPC1POLB | |
| SCHEMBL16840691 | 0.75 | HRH4 (0.55) | SMN1; SMN2RAB9AALDH1A1NPC1POLB | |
| SCHEMBL19548104 | 0.75 | SMN1; SMN2 (0.61) | SMN1; SMN2RAB9AALDH1A1NPC1HRH4 | |
| SCHEMBL5090089 | 0.73 | HRH4 (0.55) | SMN1; SMN2RAB9AALDH1A1NPC1POLB | |
| SCHEMBL23451281 | 0.72 | HRH4 (0.47) | SMN1; SMN2ALDH1A1HRH4 | |
| SCHEMBL8798290 | 0.72 | SMN1; SMN2 (0.59) | SMN1; SMN2RAB9AALDH1A1NPC1POLB | |
| SCHEMBL19028014 | 0.72 | SMN1; SMN2 (0.55) | SMN1; SMN2RAB9AALDH1A1NPC1POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-105658639-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |