Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.51 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.51 |
| ▸ | CDC25A | P30304 | 8/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8790527 | 0.92 | DRD2 (0.48) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| SCHEMBL8791013 | 0.90 | ALDH1A1 (0.48) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| SCHEMBL8791127 | 0.88 | BRD4 (0.48) | ALDH1A1MAPTLMNACHRM2HTR1A | |
| SCHEMBL8790761 | 0.81 | TTR (0.50) | ALDH1A1CES1DRD2HTR6 | |
| SCHEMBL8790016 | 0.81 | BRD4 (0.47) | ALDH1A1ALDH2ALDH3A1CES1MAPT | |
| SCHEMBL9370180 | 0.81 | DRD2 (0.48) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| SCHEMBL8789567 | 0.80 | BRD4 (0.46) | ALDH1A1CES1MAPTLMNACHRM2 | |
| SCHEMBL11748921 | 0.78 | CHRM2 (0.47) | ALDH1A1ALDH2ALDH3A1MAPTLMNA | |
| SCHEMBL21754749 | 0.78 | ALDH1A1 (0.73) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| SCHEMBL8791051 | 0.77 | BRD4 (0.51) | ALDH1A1MAPTLMNAMAPK1MEN1 |
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 |