Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PTGIR | P43119 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL2050802 | 0.91 | NPC1 (0.47) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2050800 | 0.91 | NPC1 (0.47) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL30417540 | 0.85 | NPC1 (0.46) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL9945413 | 0.85 | NPC1 (0.46) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL12072300 | 0.85 | NPC1 (0.46) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2042655 | 0.83 | NPC1 (0.47) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2042653 | 0.83 | NPC1 (0.47) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL9898637 | 0.83 | ALDH1A1 (0.50) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL9898635 | 0.83 | ALDH1A1 (0.50) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL5802263 | 0.81 | NPC1 (0.46) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112645835-A | Preparation method of benzyloxyamine hydrochloride | 宁波四明化工有限公司 | 2021-04-13 | — | — | CN | disclosed |