Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 6/20 | 0.67 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11738695 | 1.00 | GRM5 (0.67) | GRM5RAB9ANPC1ALDH1A1KMT2A | |
| SCHEMBL11742691 | 0.99 | GRM5 (0.65) | GRM5RAB9ANPC1ALDH1A1KMT2A | |
| SCHEMBL11738480 | 0.96 | GRM5 (0.72) | GRM5RAB9ANPC1ALDH1A1KMT2A | |
| SCHEMBL11738486 | 0.96 | GRM5 (0.72) | GRM5RAB9ANPC1ALDH1A1KMT2A | |
| SCHEMBL11740982 | 0.86 | GRM5 (0.57) | GRM5RAB9ANPC1ALDH1A1KMT2A | |
| SCHEMBL11741813 | 0.86 | GRM5 (0.67) | GRM5RAB9AALDH1A1LMNAKDM4E | |
| SCHEMBL11740985 | 0.86 | GRM5 (0.57) | GRM5RAB9ANPC1ALDH1A1KMT2A | |
| SCHEMBL11741819 | 0.86 | GRM5 (0.67) | GRM5RAB9AALDH1A1LMNAKDM4E | |
| SCHEMBL11741801 | 0.84 | GRM5 (0.55) | GRM5RAB9AALDH1A1KMT2ALMNA | |
| SCHEMBL11741806 | 0.84 | GRM5 (0.55) | GRM5RAB9AALDH1A1KMT2ALMNA |
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 |