Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 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 | |
|---|---|---|---|---|
| SCHEMBL28167749 | 0.98 | PDCD1 (0.44) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 | |
| SCHEMBL17034512 | 0.82 | PDCD1 (0.43) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 | |
| SCHEMBL3183499 | 0.81 | ALDH1A1 (0.48) | PDCD1CD274CYP2A6ALDH1A1HPGD | |
| SCHEMBL15478649 | 0.79 | TSHR (0.43) | CYP2A6ALDH1A1HPGDTSHRNPC1 | |
| SCHEMBL1129836 | 0.79 | MGAM (0.41) | ALDH1A1KDM4EHSD17B10MAPK1 | |
| SCHEMBL16283938 | 0.77 | NPC1 (0.41) | ALDH1A1HPGDTSHRNPC1RAB9A | |
| SCHEMBL616 | 0.76 | ESR2 (0.54) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 | |
| SCHEMBL29706107 | 0.76 | ESR2 (0.54) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 | |
| SCHEMBL30612770 | 0.76 | CA12 (0.54) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 | |
| Benzenethiol SCHEMBL28859888 | 0.76 | ENPP3 (0.46) | PDCD1CD274CYP2A6CYP2B6ALDH1A1 |
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-109824559-A | A method of by one fluorine methyl mercapto compound of Bunte salt synthesizing aryl | 南京理工大学 | 2019-05-31 | — | — | CN | disclosed |