Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 2/20 | 0.37 |
| ▸ | AKT2 | P31751 | 2/20 | 0.37 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 3/20 | 0.36 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 5/20 | 0.35 |
| ▸ | CLK2 | P49760 | 2/20 | 0.35 |
| ▸ | HIPK1 | Q86Z02 | 2/20 | 0.35 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.35 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | HIPK3 | Q9H422 | 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 | |
|---|---|---|---|---|
| SCHEMBL8546643 | 0.93 | CYP3A4 (0.42) | GRM2AKT1AKT2AKT3CYP3A4 | |
| SCHEMBL8706553 | 0.83 | AKT1 (0.38) | GRM2AKT1AKT2AKT3PRKCQ | |
| SCHEMBL8547811 | 0.81 | MTOR (0.42) | AKT1AKT2AKT3CLK2HIPK1 | |
| SCHEMBL8299628 | 0.79 | BRD4 (0.45) | CYP3A4CYP2C9CYP2C19BRD4 | |
| SCHEMBL8547631 | 0.78 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19BRD4 | |
| SCHEMBL8701594 | 0.77 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19BRD4 | |
| SCHEMBL8551195 | 0.77 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19BRD4 | |
| SCHEMBL8709305 | 0.77 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19BRD4MET | |
| SCHEMBL8702457 | 0.76 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19BRD4 | |
| SCHEMBL8706537 | 0.76 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19BRD4 |
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 2 patents. 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 |
| EP-0745083-B1 | 2-HETEROARYL-5,11-DIHYDRO-6H-DIPYRIDO [3,2-b:2',3'-e][1,4]DIAZEPINES AND THEIR USE IN THE PREVENTION OR TREATMENT OF HIV INFECTION | BOEHRINGER INGELHEIM PHARMA (US) | 1998-05-20 | — | — | EP | disclosed |