Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.52 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | 0.87 | PTGS2 (0.62) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL78253 | 0.87 | PTGS2 (0.62) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL5499087 | 0.85 | PTGS2 (0.60) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL28158010 | 0.82 | PTGS2 (0.58) | PTGS2HTR6ENPP2PTGS1PSIP1 | |
| Methylphenylsulfone SCHEMBL28097901 | 0.82 | PTGS2 (0.58) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL28046614 | 0.82 | PTGS2 (0.58) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL28288198 | 0.82 | PTGS2 (0.58) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| Methylphenylsulfone SCHEMBL25293256 | 0.81 | PTGS2 (0.52) | PTGS2HTR6ENPP2PSIP1 | |
| Methylphenylsulfone SCHEMBL11698567 | 0.80 | PTGS2 (0.56) | PTGS2HTR6ENPP2PSIP1ALDH1A1 | |
| (Phenylsulfonyl)Benzene SCHEMBL312684 | 0.80 | HTR6 (0.74) | HTR6PSIP1ALDH1A1HSD17B10TDP1 |
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-113214138-A | Phenylpropionic acid derivative, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2021-08-06 | — | — | CN | disclosed |