Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2075480 | 0.99 | ALDH1A1 (0.51) | HRH4ALDH1A1NPC1ATMRAB9A | |
| SCHEMBL2075259 | 0.91 | HRH4 (0.55) | HRH4ALDH1A1NPC1ATMRAB9A | |
| SCHEMBL2074954 | 0.91 | HRH4 (0.55) | HRH4ALDH1A1NPC1ATMRAB9A | |
| SCHEMBL2074480 | 0.91 | HRH4 (0.55) | HRH4ALDH1A1NPC1ATMRAB9A | |
| SCHEMBL2074972 | 0.91 | HRH4 (0.55) | HRH4ALDH1A1NPC1ATMRAB9A | |
| SCHEMBL2074889 | 0.91 | HRH4 (0.55) | HRH4ALDH1A1NPC1ATMRAB9A | |
| SCHEMBL2074092 | 0.90 | HRH4 (0.53) | HRH4ALDH1A1NPC1ATMRAB9A | |
| SCHEMBL2076138 | 0.90 | HRH4 (0.54) | HRH4ALDH1A1NPC1ATMRAB9A | |
| SCHEMBL2075851 | 0.89 | HRH4 (0.51) | HRH4ALDH1A1NPC1ATMRAB9A | |
| SCHEMBL2075478 | 0.87 | HRH4 (0.54) | HRH4ALDH1A1RAB9ASMN1; SMN2HSD17B10 |
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-7902184-B2 | Piperazinyl pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-03-08 | — | — | US | disclosed |