Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.59 |
| ▸ | TNF | P01375 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11739760 | 1.00 | GRM5 (0.59) | GRM5TNFMAPTRAB9ALMNA | |
| SCHEMBL11741801 | 0.96 | GRM5 (0.55) | GRM5TNFMAPTRAB9ALMNA | |
| SCHEMBL11741806 | 0.96 | GRM5 (0.55) | GRM5TNFMAPTRAB9ALMNA | |
| SCHEMBL11744375 | 0.95 | GRM5 (0.54) | GRM5TNFMAPTRAB9ALMNA | |
| SCHEMBL11744367 | 0.95 | GRM5 (0.54) | GRM5TNFMAPTRAB9ALMNA | |
| SCHEMBL11740926 | 0.85 | GRM5 (0.63) | GRM5MAPTRAB9ALMNASMN1; SMN2 | |
| SCHEMBL11740932 | 0.85 | GRM5 (0.63) | GRM5MAPTRAB9ALMNASMN1; SMN2 | |
| SCHEMBL11740129 | 0.84 | GRM5 (0.73) | GRM5MAPTRAB9ALMNASMN1; SMN2 | |
| SCHEMBL11742271 | 0.84 | GRM5 (0.62) | GRM5MAPTRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL11738416 | 0.84 | GRM5 (0.62) | GRM5MAPTRAB9ALMNASMN1; SMN2 |
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 |