Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.74 |
| ▸ | LMNA | P02545 | 1/20 | 0.74 |
| ▸ | POLB | P06746 | 1/20 | 0.74 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.74 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.74 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.74 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.74 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8888369 | 0.89 | ALDH1A1 (0.69) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL29393780 | 0.85 | ALDH1A1 (1.00) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL3318 | 0.85 | ALDH1A1 (1.00) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL29614675 | 0.85 | ALDH1A1 (1.00) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL30267890 | 0.85 | ALDH1A1 (1.00) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL3232525 | 0.85 | ALDH1A1 (1.00) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL28257895 | 0.85 | ALDH1A1 (0.89) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL5175341 | 0.84 | ALDH1A1 (0.98) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL8151939 | 0.84 | ALDH1A1 (0.98) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL6562884 | 0.84 | ALDH1A1 (0.98) | ALDH1A1LMNAPOLBADORA3MAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0482481-A1 | Method for the preparation of 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepines | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1992-04-29 | — | — | EP | disclosed |