Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | MAOB | P27338 | 6/20 | 0.39 |
| ▸ | MAOA | P21397 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| Benzenethiol SCHEMBL2363307 | 0.85 | TSHR (0.56) | TSHRCYP3A4TDP1TAAR1HSD17B10 | |
| Aniline SCHEMBL8756429 | 0.82 | TSHR (0.69) | TSHRCYP3A4TDP1TAAR1HSD17B10 | |
| Benzene SCHEMBL21624953 | 0.79 | MAPT (0.53) | TSHRCYP3A4TDP1TAAR1HSD17B10 | |
| SCHEMBL25837 | 0.79 | — | — | |
| 4-Aminophenol SCHEMBL4163234 | 0.76 | CYP3A4 (0.62) | TSHRCYP3A4TDP1TAAR1HSD17B10 | |
| Hydrochloric Acid SCHEMBL7893866 | 0.76 | — | — | |
| Benzenethiol SCHEMBL28768697 | 0.74 | ACHE (0.59) | TSHRCYP3A4TDP1TAAR1HSD17B10 | |
| Benzenethiol SCHEMBL3715732 | 0.74 | ACHE (0.59) | TSHRCYP3A4TDP1TAAR1HSD17B10 | |
| SCHEMBL25018887 | 0.73 | TSHR (0.62) | TSHRCYP3A4TDP1TAAR1HSD17B10 | |
| SCHEMBL49836 | 0.73 | — | — |
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-102786532-B | Sulfur heterocyclic compound and preparation process thereof | UNIV BEIJING FORESTRY | 2015-06-03 | — | — | CN | disclosed |
| CN-102786532-A | Sulfur heterocyclic compound and preparation process thereof | UNIV BEIJING FORESTRY | 2012-11-21 | — | — | CN | disclosed |