Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 4/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3646434 | 0.85 | NUDT1 (0.47) | NUDT1TLR8HRH4AURKAHSP90AA1 | |
| SCHEMBL179501 | 0.79 | NUDT1 (0.48) | NUDT1TLR8HRH4AURKAHSP90AA1 | |
| SCHEMBL23671169 | 0.77 | TDP1 (0.35) | MAPTNPC1RAB9A | |
| SCHEMBL18532095 | 0.77 | ADORA2A (0.34) | ADORA2AMAPTNPC1RAB9A | |
| SCHEMBL2035119 | 0.77 | NUDT1 (0.44) | NUDT1TLR8HRH4HRH3CDK5 | |
| SCHEMBL19618116 | 0.76 | TLR8 (0.45) | NUDT1TLR8HRH4HRH3 | |
| SCHEMBL31728177 | 0.76 | NUDT1 (0.46) | NUDT1TLR8HRH4AURKAHSP90AA1 | |
| SCHEMBL2032467 | 0.74 | NUDT1 (0.49) | NUDT1TLR8HRH4AURKAHSP90AA1 | |
| SCHEMBL19225666 | 0.74 | AAK1 (0.34) | HRH4NPC1RAB9A | |
| SCHEMBL20428012 | 0.74 | IDH1 (0.40) | CDK4CCNE1CDK2 |
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-9655892-B2 | Certain chemical entities, compositions and methods | INTELLIKINE LLC (US) | 2017-05-23 | — | — | US | disclosed |