Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | CLK1 | P49759 | 2/20 | 0.36 |
| ▸ | CLK2 | P49760 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.36 |
| ▸ | HIPK1 | Q86Z02 | 2/20 | 0.36 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.36 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.36 |
| ▸ | HIPK3 | Q9H422 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8706528 | 0.91 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19METMAPT | |
| SCHEMBL8703807 | 0.88 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19BRD4PIM1 | |
| SCHEMBL8701079 | 0.84 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL8546643 | 0.84 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19METBRD4 | |
| SCHEMBL8547631 | 0.83 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL8549824 | 0.80 | CYP3A4 (0.37) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL8545648 | 0.79 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL8701364 | 0.79 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 | |
| SCHEMBL8299587 | 0.78 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19BRD4 | |
| SCHEMBL8889357 | 0.78 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19BRD4CYP1A2 |
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 |