Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 9/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.48 |
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 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 | |
|---|---|---|---|---|
| SCHEMBL8774745 | 1.00 | CHRNA7 (0.49) | CHRNA7CYP11B1CYP11B2NQO1GRM5 | |
| SCHEMBL8774900 | 0.87 | CYP2D6 (0.46) | CHRNA7GRM5KDM4ENPC1ALDH1A1 | |
| SCHEMBL8774212 | 0.87 | CYP2D6 (0.46) | CHRNA7GRM5KDM4ENPC1ALDH1A1 | |
| SCHEMBL8774455 | 0.87 | CYP2D6 (0.54) | GRM5KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL8774691 | 0.87 | CYP2D6 (0.54) | GRM5KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL8774459 | 0.84 | CYP2D6 (0.51) | GRM5KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL8774674 | 0.84 | CYP2D6 (0.51) | GRM5KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL8774136 | 0.83 | CYP2D6 (0.50) | GRM5KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL8775015 | 0.79 | EGLN1 (0.42) | CHRNA7CYP11B1CYP11B2GRM5NPC1 | |
| SCHEMBL8774747 | 0.79 | EGLN1 (0.42) | CHRNA7CYP11B1CYP11B2GRM5NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |