Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.73 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11741813 | 0.96 | GRM5 (0.67) | GRM5CNR1TP53ALDH1A1RAB9A | |
| SCHEMBL11741819 | 0.96 | GRM5 (0.67) | GRM5CNR1TP53ALDH1A1RAB9A | |
| SCHEMBL11740932 | 0.87 | GRM5 (0.63) | GRM5ALDH1A1RAB9ALMNAGAA | |
| SCHEMBL11740926 | 0.87 | GRM5 (0.63) | GRM5ALDH1A1RAB9ALMNAGAA | |
| SCHEMBL11738353 | 0.86 | GRM5 (0.77) | GRM5ALDH1A1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL11738358 | 0.86 | GRM5 (0.77) | GRM5ALDH1A1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL11742271 | 0.86 | GRM5 (0.62) | GRM5TP53ALDH1A1RAB9AGAA | |
| SCHEMBL11738416 | 0.86 | GRM5 (0.62) | GRM5TP53CHRM2CHRM4CHRM1 | |
| SCHEMBL11738480 | 0.86 | GRM5 (0.72) | GRM5CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL11738486 | 0.86 | GRM5 (0.72) | GRM5CHRM2CHRM4CHRM1CHRM3 |
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 |