Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.39 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8701190 | 0.80 | CYP3A4 (0.42) | BRD4CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8547631 | 0.80 | CYP3A4 (0.39) | BRD4CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8545648 | 0.80 | CYP3A4 (0.39) | BRD4CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8707904 | 0.78 | BRD4 (0.39) | BRD4CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8546643 | 0.78 | CYP3A4 (0.42) | CLK1BRD4MAPK8CYP3A4CYP2C9 | |
| SCHEMBL8701057 | 0.78 | CYP3A4 (0.40) | BRD4CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8701364 | 0.78 | CYP3A4 (0.39) | BRD4CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8299587 | 0.77 | CYP3A4 (0.52) | BRD4CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL8701079 | 0.77 | CYP3A4 (0.39) | BRD4CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8306273 | 0.77 | CYP3A4 (0.44) | BRD4CYP3A4CYP2C9CYP2C19ALDH1A1 |
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-5837704-A | PREVENTION OR TREATMENT OF AIDS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1998-11-17 | — | — | US | disclosed |