Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Methylphenylsulfone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.58 |
| ▸ | HTR6 | P50406 | 1/20 | 0.52 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.50 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Methylphenylsulfone SCHEMBL1332357 | 0.94 | PTGS2 (0.62) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL78253 | 0.94 | PTGS2 (0.62) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL5499087 | 0.92 | PTGS2 (0.60) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL28046614 | 0.89 | PTGS2 (0.58) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL28158010 | 0.89 | PTGS2 (0.58) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL28097901 | 0.89 | PTGS2 (0.58) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL11698567 | 0.86 | PTGS2 (0.56) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL27930437 | 0.86 | PTGS2 (0.56) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL1925243 | 0.86 | ALDH1A1 (0.59) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL29122782 | 0.84 | PTGS2 (0.59) | PTGS2HTR6ENPP2PSIP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109678811-B | Asymmetric preparation method of florfenicol intermediate cyclic compound | 湖北中牧安达药业有限公司 | 2020-12-29 | — | — | CN | claimed |
| CN-109678811-A | A kind of asymmetric preparation method of florfenicol intermediate cyclic product | 湖北中牧安达药业有限公司 | 2019-04-26 | — | — | CN | claimed |
| CN-109678811-B | Asymmetric preparation method of florfenicol intermediate cyclic compound | 湖北中牧安达药业有限公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-109678811-B | Asymmetric preparation method of florfenicol intermediate cyclic compound | 湖北中牧安达药业有限公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-109678811-A | A kind of asymmetric preparation method of florfenicol intermediate cyclic product | 湖北中牧安达药业有限公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-109678811-A | A kind of asymmetric preparation method of florfenicol intermediate cyclic product | 湖北中牧安达药业有限公司 | 2019-04-26 | — | — | CN | disclosed |