Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MGLL | Q99685 | 3/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL4399586 | 0.81 | CNR2 (0.52) | ALDH1A1TSHRMGLLCNR2AOC3 | |
| SCHEMBL6546403 | 0.81 | TSHR (0.50) | ALDH1A1TSHRMGLLCNR2AOC3 | |
| Hydrochloric Acid SCHEMBL29004387 | 0.79 | CNR2 (0.50) | ALDH1A1TSHRMGLLCNR2AOC3 | |
| SCHEMBL18597619 | 0.78 | TSHR (0.42) | ALDH1A1TSHRMGLLCNR2AOC3 | |
| SCHEMBL7296277 | 0.78 | HRH3 (0.56) | ALDH1A1TSHRCNR2KDM4ELMNA | |
| Alcohol SCHEMBL23296441 | 0.74 | CNR2 (0.61) | ALDH1A1TSHRMGLLCNR2AOC3 | |
| SCHEMBL12652670 | 0.74 | TSHR (0.43) | ALDH1A1TSHRMGLLCNR2AOC3 | |
| SCHEMBL15367690 | 0.73 | AOC3 (0.45) | ALDH1A1TSHRMGLLCNR2AOC3 | |
| SCHEMBL13270098 | 0.73 | ALDH1A1 (0.43) | ALDH1A1TSHRMGLLCNR2AOC3 | |
| SCHEMBL11586184 | 0.72 | MEP1B (0.47) | ALDH1A1PTPN1NPC1RAB9ACA12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2841418-B1 | (3,4-DICHLORO-PHENYL)-((S)-3-PROPYL-PYRROLIDIN-3-YL)-METHANONE HYDROCHLORIDE AND MANUFACTURING PROCESSES | HOFFMANN LA ROCHE (CH) | 2017-03-08 | — | — | EP | disclosed |