Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA3 | P07451 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.55 |
| ▸ | 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 |
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 SCHEMBL27930437 | 0.97 | PTGS2 (0.56) | PTGS2CA12CA1CA2CA3 | |
| Methylphenylsulfone SCHEMBL1332357 | 0.94 | PTGS2 (0.62) | PTGS2CA12CA1CA2CA3 | |
| Methylphenylsulfone SCHEMBL78253 | 0.94 | PTGS2 (0.62) | PTGS2CA12CA1CA2CA3 | |
| Methylphenylsulfone SCHEMBL5499087 | 0.92 | PTGS2 (0.60) | PTGS2CA12CA1CA2CA3 | |
| Methylphenylsulfone SCHEMBL28158010 | 0.89 | PTGS2 (0.58) | PTGS2CA12CA1CA2CA3 | |
| Methylphenylsulfone SCHEMBL28097901 | 0.89 | PTGS2 (0.58) | PTGS2CA12CA1CA2CA3 | |
| Methylphenylsulfone SCHEMBL28288198 | 0.89 | PTGS2 (0.58) | PTGS2CA12CA1CA2CA3 | |
| Methylphenylsulfone SCHEMBL19876152 | 0.87 | PTGS2 (0.52) | PTGS2CA12CA1CA2CA3 | |
| Methylphenylsulfone SCHEMBL11698567 | 0.86 | PTGS2 (0.56) | PTGS2CA12CA1CA2CA3 | |
| Methylphenylsulfone SCHEMBL1925243 | 0.86 | ALDH1A1 (0.59) | PTGS2CA12CA1CA2CA3 |
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-109206360-A | Carbazole amide derivatives or its salt and its preparation method and application | 复旦大学 | 2019-01-15 | — | — | CN | disclosed |
| CN-105294688-B | 6-chlorine-N-(substituted benzyl)-1H-pyrrolo[2,3-b]pyridine-2-amide compound and preparation method as well as application thereof | 北京工业大学 | 2017-03-22 | — | — | CN | disclosed |
| CN-103476752-B | Substituted aromatic series sulphur compound and using method thereof | 赛福伦公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-105294688-A | 6-chlorine-N-(substituted benzyl)-1H-pyrrolo[2,3-b]pyridine-2-amide compound and preparation method as well as application thereof | UNIV BEIJING TECHNOLOGY | 2016-02-03 | — | — | CN | disclosed |