Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 11/20 | 0.42 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2511237 | 0.87 | CYP1A2 (0.53) | SMN1; SMN2CYP1A2ALDH1A1AKT1GSK3B | |
| SCHEMBL5937366 | 0.78 | CYP1A2 (1.00) | SMN1; SMN2CYP1A2ALDH1A1GAAMAPT | |
| SCHEMBL11621435 | 0.75 | SMN1; SMN2 (0.41) | SMN1; SMN2CYP1A2ALDH1A1GAAMAPT | |
| SCHEMBL2511248 | 0.73 | ALDH1A1 (0.55) | CYP1A2ALDH1A1GAAMAPTNPC1 | |
| SCHEMBL8791345 | 0.73 | ALDH1A1 (0.51) | SMN1; SMN2CYP1A2ALDH1A1AKT1 | |
| SCHEMBL7476995 | 0.73 | SMN1; SMN2 (0.55) | SMN1; SMN2CYP1A2ALDH1A1GAAMAPT | |
| SCHEMBL6745596 | 0.73 | SMN1; SMN2 (0.55) | SMN1; SMN2CYP1A2ALDH1A1GAAMAPT | |
| SCHEMBL12683716 | 0.73 | ALDH1A1 (0.59) | SMN1; SMN2ALDH1A1GAAMAPTNPC1 | |
| SCHEMBL7102226 | 0.73 | — | — | |
| SCHEMBL2643929 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| US-5571809-A | The treatment of HIV-1 infection using certain pyridodiazepines | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1996-11-05 | — | — | US | claimed |