Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.48 |
| ▸ | CASP1 | P29466 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MPI | P34949 | 1/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.48 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | CASP7 | P55210 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | 0.87 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2CASP1HPGDMPI | |
| SCHEMBL9431569 | 0.87 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2CASP1HPGDMPI | |
| SCHEMBL9368959 | 0.84 | AKT1 (0.47) | ALDH1A1SMN1; SMN2CASP1HPGDMPI | |
| SCHEMBL9010372 | 0.82 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2CYP1A2BRD4HSD17B10 | |
| SCHEMBL8304689 | 0.81 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2CYP1A2BRD4HSD17B10 | |
| SCHEMBL8791229 | 0.81 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2CASP1HPGDMPI | |
| SCHEMBL8791085 | 0.80 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2CASP1HPGDMPI | |
| SCHEMBL8792456 | 0.77 | ALDH1A1 (0.76) | ALDH1A1SMN1; SMN2CYP1A2MAPTGAA | |
| SCHEMBL8791600 | 0.76 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2CASP1HPGDMPI | |
| SCHEMBL8789845 | 0.76 | ALDH1A1 (0.78) | ALDH1A1SMN1; SMN2CYP1A2MAPK1MAPT |
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-0429987-B1 | 5,11-Dihydro-6H-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) | 1999-03-17 | — | — | EP | disclosed |
| US-5620974-A | ENZYME INHIBITOR, TREATS ACQUIRED IMMUNE DEFICIENCY SYNDROME(AIDS) | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1997-04-15 | — | — | US | disclosed |
| US-5366972-A | 5,11-dihydro-6H-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) | 1994-11-22 | — | — | US | disclosed |
| EP-0393529-B1 | 5,11-dihydro-6H-dipyrido [3,2-b:2',3'-e][1,4]diazepin-6-ones and their use in the prevention or treatment of AIDS | Boehringer Ingelheim Pharmaceuticals Inc. (US) | 1993-06-30 | — | — | EP | disclosed |
| EP-0429987-A2 | 5,11-Dihydro-6H-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) | 1991-06-05 | — | — | EP | disclosed |
| EP-0393529-A1 | 5,11-dihydro-6H-dipyrido [3,2-b:2',3'-e][1,4]diazepin-6-ones and their use in the prevention or treatment of AIDS | Boehringer Ingelheim Pharmaceuticals Inc. (US) | 1990-10-24 | — | — | EP | disclosed |