Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | JUN | P05412 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9955764 | 0.77 | TSPO (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27572161 | 0.77 | MAPT (0.46) | NPSR1MAPTHTTCA12CA1 | |
| SCHEMBL2094102 | 0.76 | CA12 (0.58) | NPSR1MAPTHTTCA12CA1 | |
| SCHEMBL11872172 | 0.75 | KMT2A (0.47) | NPSR1MAPTHTTCA12CA1 | |
| Nitrogen SCHEMBL11318221 | 0.73 | CA12 (0.54) | NPSR1MAPTHTTCA12CA1 | |
| SCHEMBL11854125 | 0.73 | ALDH1A1 (0.51) | MAPTHTTCA12CA1CA2 | |
| SCHEMBL24001 | 0.72 | MAPT (0.66) | NPSR1MAPTHTTCA12CA1 | |
| SCHEMBL9956630 | 0.71 | HSD17B2 (0.60) | — | |
| SCHEMBL2975268 | 0.71 | PAX8 (0.44) | NPSR1MAPTHTTHSD17B10KMT2A | |
| SCHEMBL24317926 | 0.70 | CA1 (0.50) | MAPTHTTCA12CA1CA2 |
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 |