Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | TYMP | P19971 | 1/20 | 0.49 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL5673224 | 0.84 | CYP2A6 (0.65) | CYP2A6CYP1A2DNMT1ALDH1A1HSD17B10 | |
| SCHEMBL3277152 | 0.80 | CYP2A6 (0.54) | CYP2A6CYP1A2TYMPDNMT1ALDH1A1 | |
| SCHEMBL19299493 | 0.79 | CYP2A6 (0.42) | CYP2A6CYP1A2TYMPDNMT1ALDH1A1 | |
| SCHEMBL7637791 | 0.79 | CYP1A2 (0.52) | CYP2A6CYP1A2TYMPALDH1A1HSD17B10 | |
| SCHEMBL24758930 | 0.79 | CYP2A6 (0.52) | CYP2A6CYP1A2TYMPDHFRMAPT | |
| SCHEMBL29787010 | 0.78 | DNMT1 (0.59) | CYP2A6CYP1A2TYMPDNMT1ALDH1A1 | |
| SCHEMBL196007 | 0.78 | DNMT1 (0.59) | CYP2A6CYP1A2TYMPDNMT1ALDH1A1 | |
| SCHEMBL29410608 | 0.78 | DNMT1 (0.59) | CYP2A6CYP1A2TYMPDNMT1ALDH1A1 | |
| SCHEMBL10426344 | 0.78 | CYP2A6 (0.44) | CYP2A6CYP1A2TYMPDNMT1ALDH1A1 | |
| SCHEMBL9242409 | 0.77 | DHFR (0.45) | CYP2A6CYP1A2TYMPALDH1A1HSD17B10 |
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-116323566-B | Sulfanone compound and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-116323566-A | Sulfanone compound and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2023-06-23 | — | — | CN | disclosed |