Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 12/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.42 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8299587 | 0.90 | CYP3A4 (0.52) | BRD4CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL8789567 | 0.89 | BRD4 (0.46) | DRD2HTR6BRD4CYP3A4CYP2C9 | |
| SCHEMBL9369777 | 0.88 | BRD4 (0.50) | DRD2HTR6BRD4ALDH1A1HSD17B10 | |
| SCHEMBL9369457 | 0.85 | CYP3A4 (0.47) | BRD4CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL11745433 | 0.84 | DRD2 (0.52) | DRD2HTR6BRD4 | |
| SCHEMBL11747930 | 0.84 | DRD2 (0.69) | DRD2HTR6BRD4 | |
| SCHEMBL11745436 | 0.83 | DRD2 (0.42) | DRD2HTR6BRD4CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL11750163 | 0.83 | DRD2 (0.51) | DRD2HTR6BRD4 | |
| SCHEMBL9370046 | 0.83 | BRD4 (0.48) | DRD2HTR6BRD4ALDH1A1HSD17B10 | |
| SCHEMBL8299628 | 0.83 | BRD4 (0.45) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0393530-B1 | 5,11-dihydro-6H-pyrido[2,3,-b][1,4]benzodiazepin-6-ones and -thiones and their use in the prevention or treatment of AIDS | BOEHRINGER INGELHEIM PHARMA (US) | 1994-12-28 | — | — | EP | disclosed |
| US-5087625-A | Pyridodiazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1992-02-11 | — | — | US | disclosed |
| EP-0393530-A1 | 5,11-dihydro-6H-pyrido[2,3,-b][1,4]benzodiazepin-6-ones and -thiones and their use in the prevention or treatment of AIDS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1990-10-24 | — | — | EP | disclosed |