Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8790081 | 0.81 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2CYP1A2MAPTCYP2C9 | |
| SCHEMBL8791229 | 0.80 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2CYP1A2MAPTCYP2C9 | |
| SCHEMBL8791085 | 0.77 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2CYP1A2MAPTCYP2C9 | |
| SCHEMBL8301745 | 0.76 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2CYP1A2MAPTCYP2C9 | |
| SCHEMBL9431569 | 0.75 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2CYP1A2CASP1HPGD | |
| SCHEMBL9368959 | 0.75 | AKT1 (0.47) | ALDH1A1SMN1; SMN2MAPTGAAALOX15 | |
| SCHEMBL8792456 | 0.73 | ALDH1A1 (0.76) | ALDH1A1SMN1; SMN2CYP1A2MAPTCYP2C9 | |
| SCHEMBL30761084 | 0.73 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2CYP1A2MAPTCYP2C9 | |
| SCHEMBL8789845 | 0.72 | ALDH1A1 (0.78) | ALDH1A1SMN1; SMN2CYP1A2MAPTMAPK1 | |
| SCHEMBL30203943 | 0.72 | BRD4 (0.54) | ALDH1A1SMN1; SMN2CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |