Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.58 |
| ▸ | DAO | P14920 | 1/20 | 0.49 |
| ▸ | TNKS2 | Q9H2K2 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10391167 | 0.82 | CYP1A2 (0.56) | CYP1A2SMN1; SMN2ALDH1A1MAPTNPC1 | |
| SCHEMBL9010267 | 0.82 | CYP1A2 (0.55) | CYP1A2SMN1; SMN2ALDH1A1MAPTNPC1 | |
| SCHEMBL8791690 | 0.80 | ALDH1A1 (0.76) | CYP1A2SMN1; SMN2ALDH1A1MAPTNPC1 | |
| SCHEMBL5937366 | 0.79 | CYP1A2 (1.00) | CYP1A2SMN1; SMN2ALDH1A1MAPTNPC1 | |
| SCHEMBL5178865 | 0.76 | CYP1A2 (0.80) | CYP1A2SMN1; SMN2ALDH1A1MAPTNPC1 | |
| SCHEMBL1085646 | 0.74 | BRS3 (0.42) | CYP1A2SMN1; SMN2DAOPOLBGSK3B | |
| SCHEMBL30373510 | 0.73 | CYP1A2 (0.49) | CYP1A2SMN1; SMN2ALDH1A1MAPTNPC1 | |
| SCHEMBL10391316 | 0.72 | CYP1A2 (0.58) | CYP1A2SMN1; SMN2ALDH1A1MAPTNPC1 | |
| SCHEMBL2420515 | 0.71 | CYP1A2 (0.77) | CYP1A2SMN1; SMN2ALDH1A1MAPTNPC1 | |
| SCHEMBL11807411 | 0.71 | CYP1A2 (0.71) | CYP1A2SMN1; SMN2ALDH1A1MAPTNPC1 |
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 6 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-5602113-A | INHIBIT REVERSE TRANSCRIPTASE | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1997-02-11 | — | — | US | disclosed |
| US-5571809-A | The treatment of HIV-1 infection using certain pyridodiazepines | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1996-11-05 | — | — | US | disclosed |
| EP-0498290-B1 | Pyridobenzodiazepines, dipyrido [3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMA (US) | 1996-09-18 | — | — | EP | disclosed |
| EP-0498290-A1 | Pyridobenzodiazepines, dipyrido [3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1992-08-12 | — | — | EP | 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 |