Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 7/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12240328 | 0.87 | HPGD (0.49) | HPGDUSP2L3MBTL1TP53NPC1 | |
| SCHEMBL948235 | 0.77 | MTNR1A (0.39) | HPGDKMT2ALMNACYP3A4CYP2C9 | |
| SCHEMBL947915 | 0.77 | MTNR1A (0.39) | HPGDKMT2ALMNACYP3A4CYP2C9 | |
| SCHEMBL17880649 | 0.75 | HPGD (0.41) | HPGDUSP2L3MBTL1TP53NPC1 | |
| SCHEMBL12240333 | 0.74 | HPGD (0.49) | HPGDUSP2L3MBTL1TP53ALDH1A1 | |
| SCHEMBL17131545 | 0.74 | HPGD (0.49) | HPGDUSP2L3MBTL1TP53NPC1 | |
| SCHEMBL29128149 | 0.73 | ESRRB (0.47) | — | |
| SCHEMBL4720208 | 0.72 | HPGD (0.46) | HPGDUSP2L3MBTL1TP53NPC1 | |
| SCHEMBL12264721 | 0.72 | MTNR1A (0.51) | TP53NPC1KDM4EALDH1A1KMT2A | |
| SCHEMBL11440010 | 0.72 | PIN1 (0.42) | HPGDL3MBTL1NPC1ALDH1A1KMT2A |
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 |