Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8300618 | 0.87 | ALDH1A1 (0.62) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL8889005 | 0.81 | CYP2C9 (0.49) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL8300334 | 0.81 | RAB9A (0.50) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL9704578 | 0.80 | ALDH1A1 (0.74) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL8888719 | 0.79 | ALDH1A1 (0.45) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL8300301 | 0.78 | CYP2C9 (0.53) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL8967449 | 0.77 | ALDH1A1 (0.51) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL8887366 | 0.77 | ALDH1A1 (0.48) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL8887469 | 0.76 | ALDH1A1 (0.47) | ALDH1A1LMNAPOLBADORA3MAPK1 | |
| SCHEMBL8303477 | 0.76 | CYP2C9 (0.58) | 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 |