Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 10/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8791033 | 0.85 | BRD4 (0.41) | TTRCES1BRD4ALDH1A1HSD17B10 | |
| SCHEMBL8790708 | 0.85 | TTR (0.42) | TTRCES1BRD4ALDH1A1HTT | |
| SCHEMBL8791127 | 0.85 | BRD4 (0.48) | BRD4ALDH1A1HTTHSD17B10DRD2 | |
| SCHEMBL8789567 | 0.85 | BRD4 (0.46) | TTRCES1BRD4ALDH1A1DRD2 | |
| SCHEMBL8789585 | 0.85 | ALDH1A1 (0.40) | TTRCES1BRD4ALDH1A1HTT | |
| SCHEMBL8790188 | 0.84 | TNKS2 (0.47) | BRD4 | |
| SCHEMBL8790527 | 0.84 | DRD2 (0.48) | CES1BRD4ALDH1A1HSD17B10DRD2 | |
| SCHEMBL8790842 | 0.84 | CES1 (0.48) | TTRCES1BRD4ALDH1A1 | |
| SCHEMBL8790016 | 0.84 | BRD4 (0.47) | TTRCES1BRD4ALDH1A1DRD2 | |
| SCHEMBL8791351 | 0.82 | TTR (0.41) | TTRCES1BRD4ALDH1A1HTT |
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-0393604-B1 | 6,11-Dihydro-5H-pyrido(2,3-b)(1,5,)benzodiazepin-5-ones and thiones and their use in the prevention or treatment of AIDS | BOEHRINGER INGELHEIM PHARMA (US) | 1997-12-29 | — | — | EP | disclosed |
| US-5571809-A | The treatment of HIV-1 infection using certain pyridodiazepines | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1996-11-05 | — | — | US | disclosed |
| EP-0393604-A2 | 6,11-Dihydro-5H-pyrido(2,3-b)(1,5,)benzodiazepin-5-ones and thiones and their use in the prevention or treatment of AIDS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1990-10-24 | — | — | EP | disclosed |