Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 8/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3810953 | 0.86 | NPC1 (0.43) | NPC1ALDH1A1MAPTL3MBTL1LMNA | |
| SCHEMBL10062805 | 0.86 | NPC1 (0.43) | NPC1ALDH1A1MAPTL3MBTL1LMNA | |
| SCHEMBL948006 | 0.77 | KMT2A (0.37) | MAPTLMNASMN1; SMN2 | |
| SCHEMBL255151 | 0.72 | TSHR (0.44) | HPGDTP53NPC1KDM4EALDH1A1 | |
| SCHEMBL508028 | 0.70 | HPGD (0.44) | HPGDNPC1KDM4EALDH1A1MAPK1 | |
| SCHEMBL16097401 | 0.70 | HPGD (0.46) | HPGDTP53NPC1KDM4EALDH1A1 | |
| SCHEMBL28823227 | 0.70 | MLYCD (0.47) | HPGDTP53NPC1ALDH1A1MAPK1 | |
| SCHEMBL28023864 | 0.69 | HPGD (0.41) | HPGDNPC1ALDH1A1MAPK1USP2 | |
| SCHEMBL15235756 | 0.69 | HPGD (0.40) | HPGDTP53NPC1KDM4EALDH1A1 | |
| SCHEMBL23675088 | 0.69 | DGAT1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104744325-B | A kind of Alpha-hydroxy thioether and preparation method and application | 中国人民大学 | 2016-08-17 | — | — | CN | disclosed |
| CN-104744325-A | Alpha- hydroxysulfide and preparation method and application thereof | PEOPLES UNIV CHINA | 2015-07-01 | — | — | CN | disclosed |