Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | DHODH | Q02127 | 1/20 | 0.51 |
| ▸ | GRM5 | P41594 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11741509 | 1.00 | RAB9A (0.53) | RAB9AALDH1A1EPHX2NPC1SMN1; SMN2 | |
| SCHEMBL11742262 | 0.99 | EPHX2 (0.54) | RAB9AALDH1A1EPHX2NPC1SMN1; SMN2 | |
| SCHEMBL11742256 | 0.99 | EPHX2 (0.54) | RAB9AALDH1A1EPHX2NPC1SMN1; SMN2 | |
| SCHEMBL11740168 | 0.97 | GRM5 (0.54) | RAB9AALDH1A1EPHX2NPC1SMN1; SMN2 | |
| SCHEMBL11740171 | 0.97 | GRM5 (0.54) | RAB9AALDH1A1EPHX2NPC1SMN1; SMN2 | |
| SCHEMBL11740146 | 0.84 | BRD4 (0.57) | ALDH1A1SMN1; SMN2GRM5MAPT | |
| SCHEMBL11740153 | 0.84 | BRD4 (0.57) | ALDH1A1SMN1; SMN2GRM5MAPT | |
| SCHEMBL11738699 | 0.84 | GRM5 (0.67) | RAB9AALDH1A1NPC1SMN1; SMN2GRM5 | |
| SCHEMBL11741169 | 0.83 | LMNA (0.53) | RAB9AALDH1A1NPC1SMN1; SMN2DHODH | |
| SCHEMBL11741176 | 0.83 | LMNA (0.53) | RAB9AALDH1A1NPC1SMN1; SMN2DHODH |
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 |
|---|---|---|---|---|---|---|---|
| US-4046909-A | Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants | MCNEIL LABORATORIES, INCORPORATED (US) | 1977-09-06 | — | — | US | disclosed |
| US-3998958-A | Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants | MCNEIL LABORATORIES, INCORPORATED (US) | 1976-12-21 | — | — | US | disclosed |