Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | POLB | P06746 | 1/20 | 0.70 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.70 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.70 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.70 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9704222 | 0.94 | ALDH1A1 (0.64) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL9704214 | 0.93 | ALDH1A1 (0.62) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL1364796 | 0.88 | ALDH1A1 (0.62) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL29393780 | 0.83 | ALDH1A1 (1.00) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL3232525 | 0.83 | ALDH1A1 (1.00) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL30267890 | 0.83 | ALDH1A1 (1.00) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL3318 | 0.83 | ALDH1A1 (1.00) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL29614675 | 0.83 | ALDH1A1 (1.00) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL6562884 | 0.82 | ALDH1A1 (0.98) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| Nevirapine SCHEMBL1923903 | 0.82 | 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 |