Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.46 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.46 |
| ▸ | CCR6 | P51684 | 1/20 | 0.45 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27981483 | 0.87 | ALDH1A1 (0.52) | ALDH1A1MAPTNPC1MAPK1HTT | |
| SCHEMBL28265092 | 0.87 | ALDH1A1 (0.38) | ALDH1A1MAPTNPC1MAPK1HTT | |
| SCHEMBL27552067 | 0.86 | ALDH1A1 (0.46) | ALDH1A1MAPTNPC1MAPK1HTT | |
| SCHEMBL27757809 | 0.86 | ALDH1A1 (0.49) | ALDH1A1MAPTNPC1MAPK1HTT | |
| SCHEMBL27826414 | 0.86 | ALDH1A1 (0.49) | ALDH1A1MAPTNPC1MAPK1HTT | |
| SCHEMBL27706708 | 0.81 | ALDH1A1 (0.37) | ALDH1A1MAPTNPC1MAPK1HTT | |
| SCHEMBL27909355 | 0.81 | MAPT (0.49) | ALDH1A1MAPTNPC1MAPK1HTT | |
| SCHEMBL27943715 | 0.81 | KMT2A (0.51) | ALDH1A1MAPTNPC1MAPK1HTT | |
| SCHEMBL27613052 | 0.81 | ACHE (0.54) | CARM1PRMT6 | |
| SCHEMBL28092176 | 0.81 | GLA (0.58) | MAPTCARM1PRMT6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108026057-A | Heterocycloalkyl-derived compounds as selective histone deacetylase inhibitors and pharmaceutical compositions containing the same | 株式会社钟根堂 | 2018-05-11 | — | — | CN | disclosed |
| CN-107949558-A | Muscarinic agonists | 赫普泰雅治疗有限公司 | 2018-04-20 | — | — | CN | disclosed |
| CN-100334083-C | Piperidine derivatives as CCR5 inhibitors | NOVARTIS AG (CH) | 2007-08-29 | — | — | CN | disclosed |
| CN-1703411-A | Piperidine derivatives as CCR5 inhibitors | NOVARTIS AG (CH) | 2005-11-30 | — | — | CN | disclosed |