Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15143411 | 0.82 | PBRM1 (0.47) | CYP2C9CYP2C19HTR2BMAPK14TSHR | |
| SCHEMBL6911940 | 0.78 | CYP2C9 (0.36) | CYP2C9CYP2C19HTR2BMAPK14LMNA | |
| SCHEMBL10848584 | 0.78 | POLB (0.38) | TSHRNPC1RAB9AALDH1A1CALM1 | |
| SCHEMBL11821337 | 0.77 | KMT2A (0.44) | CYP2C9CYP2C19HTR2BMAPK14TSHR | |
| SCHEMBL7833396 | 0.75 | ALDH1A1 (0.46) | CYP2C9TSHRALDH1A1POLBCES2 | |
| SCHEMBL28471973 | 0.75 | NR4A1 (0.37) | TSHRALDH1A1ATMCYP2A6TDP1 | |
| SCHEMBL22046763 | 0.74 | TSHR (0.39) | LMNATSHRERCC5FEN1NPC1 | |
| SCHEMBL28468805 | 0.73 | SIGMAR1 (0.41) | TSHRSIGMAR1NPC1RAB9AALDH1A1 | |
| SCHEMBL10854069 | 0.73 | CYP3A4 (0.39) | CYP2C9CYP2C19LMNATSHRALDH1A1 | |
| SCHEMBL29285346 | 0.73 | CA12 (0.41) | CYP2C9CYP2C19MAPK14LMNAALDH1A1 |
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-109485587-B | Method for preparing sulfoxide compound by one-step reaction of benzyl chloride compound and thiophenol under metal-free condition | 陕西师范大学 | 2020-10-16 | — | — | CN | disclosed |