Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9705868 | 0.90 | CYP2C9 (0.45) | CYP2C9CYP2C19ALDH1A1RAB9ACYP1A2 | |
| SCHEMBL8300334 | 0.86 | RAB9A (0.50) | ALDH1A1RAB9ACYP1A2SMN1; SMN2LMNA | |
| SCHEMBL4031265 | 0.80 | RAB9A (0.43) | CYP2C9CYP2C19ALDH1A1RAB9ACYP1A2 | |
| SCHEMBL8889005 | 0.78 | CYP2C9 (0.49) | CYP2C9CYP2C19ALDH1A1RAB9ACYP1A2 | |
| SCHEMBL8790717 | 0.77 | RAB9A (0.53) | ALDH1A1RAB9ACYP1A2SMN1; SMN2LMNA | |
| SCHEMBL9704536 | 0.77 | RAB9A (0.42) | CYP2C9CYP2C19ALDH1A1RAB9ACYP1A2 | |
| SCHEMBL8300618 | 0.76 | ALDH1A1 (0.62) | CYP2C9CYP2C19ALDH1A1RAB9ACYP1A2 | |
| SCHEMBL14418888 | 0.76 | CYP3A4 (0.46) | CYP2C9CYP2C19ALDH1A1RAB9ACYP1A2 | |
| SCHEMBL6959718 | 0.76 | MEN1 (0.43) | CYP2C9CYP2C19ALDH1A1RAB9AMAPT | |
| SCHEMBL6963218 | 0.76 | CYP3A4 (0.46) | CYP2C9CYP2C19RAB9ACYP1A2SMN1; SMN2 |
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 |