Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 4/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CA4 | P22748 | 3/20 | 0.53 |
| ▸ | CA9 | Q16790 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | TYR | P14679 | 2/20 | 0.53 |
| ▸ | CA5A | P35218 | 2/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | GMNN | O75496 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL62871 | 0.93 | — | — | |
| Water SCHEMBL28352698 | 0.90 | — | — | |
| SCHEMBL11863520 | 0.90 | — | — | |
| Methane SCHEMBL506650 | 0.90 | — | — | |
| SCHEMBL8217008 | 0.90 | — | — | |
| Naphthalene SCHEMBL28954267 | 0.85 | CYP1A2 (0.52) | CA3CA14CA12CA1CA2 | |
| Chlorobenzene SCHEMBL10877524 | 0.84 | IDO1 (0.55) | CA3CA14CA12CA1CA2 | |
| Toluene SCHEMBL1057886 | 0.84 | ACHE (0.55) | CA3CA14CA12CA1CA2 | |
| Phenol SCHEMBL1122819 | 0.84 | CA12 (0.69) | CA3CA14CA12CA1CA2 | |
| SCHEMBL64905 | 0.84 | ESR1 (0.69) | CA3CA14CA12CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111302993-B | Preparation method of 4-phenylmercaptothiophenol | 新发药业有限公司 | 2022-10-21 | — | — | CN | disclosed |
| CN-111302993-A | Preparation method of 4-phenylmercaptothiophenol | 新发药业有限公司 | 2020-06-19 | — | — | CN | disclosed |
| CN-107406392-A | Composition of matter and molecular resists made therefrom | 亚历克斯·菲利普·格雷厄姆·罗宾逊 | 2017-11-28 | — | — | CN | disclosed |