Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL27624746 | 0.92 | TSHR (0.61) | TSHRPTGS2CYP1A2TDP1KEAP1 | |
| Chlorobenzene SCHEMBL27465656 | 0.92 | TSHR (0.61) | TSHRPTGS2CYP1A2KEAP1SMN1; SMN2 | |
| Chlorobenzene SCHEMBL231594 | 0.85 | TSHR (0.69) | TSHRPTGS2CYP1A2TDP1ALDH1A1 | |
| Chlorobenzene SCHEMBL7223075 | 0.85 | TSHR (0.69) | TSHRCYP1A2TDP1ALDH1A1HSD17B10 | |
| Chlorobenzene SCHEMBL6580246 | 0.82 | TSHR (0.65) | TSHRCYP1A2TDP1ALDH1A1HSD17B10 | |
| Chlorobenzene SCHEMBL27555170 | 0.82 | TSHR (0.65) | TSHRPTGS2CYP1A2TDP1ALDH1A1 | |
| Chlorobenzene SCHEMBL6669403 | 0.82 | TSHR (0.65) | TSHRCYP1A2TDP1ALDH1A1HSD17B10 | |
| Chlorobenzene SCHEMBL10879665 | 0.82 | TSHR (0.65) | TSHRPTGS2CYP1A2TDP1ALDH1A1 | |
| Chlorobenzene SCHEMBL27597095 | 0.82 | TSHR (0.65) | TSHRPTGS2CYP1A2TDP1ALDH1A1 | |
| Chlorobenzene SCHEMBL10408107 | 0.81 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105837528-B | Preparation method of 2- (methylsulfonyl) -10H-phenothiazine | 大连理工大学 | 2018-04-27 | — | — | CN | claimed |
| US-5153335-A | Reacting halophthalic anhydride and alkali metal salt with acid or acid derivative catalyst | OCCIDENTAL CHEMICAL CORPORATION (US) | 1992-10-06 | — | — | US | claimed |
| CN-109293538-A | A kind of preparation method of aromatic sulphones compounds and the extracting method for extracting used catalyst and aromatic sulphones compounds | 温州大学 | 2019-02-01 | — | — | CN | disclosed |
| CN-105837528-B | Preparation method of 2- (methylsulfonyl) -10H-phenothiazine | 大连理工大学 | 2018-04-27 | — | — | CN | disclosed |