Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP12 | P39900 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11551886 | 1.00 | AKR1B1 (0.62) | AKR1B1HPGDCYP2C9CYP2C19POLB | |
| SCHEMBL11427396 | 0.88 | AKR1B1 (0.56) | AKR1B1HPGDCYP2C9CYP2C19POLB | |
| SCHEMBL11442734 | 0.86 | AKR1B1 (0.53) | AKR1B1HPGDCYP2C9CYP2C19POLB | |
| SCHEMBL11552428 | 0.84 | AKR1B1 (0.51) | AKR1B1HPGDCYP2C9CYP2C19POLB | |
| SCHEMBL11430842 | 0.84 | MMP2 (0.63) | AKR1B1HPGDCYP2C9CYP2C19POLB | |
| SCHEMBL11554657 | 0.82 | AKR1B1 (0.49) | AKR1B1HPGDCYP2C9CYP2C19POLB | |
| SCHEMBL11400370 | 0.79 | AKR1B1 (0.46) | AKR1B1HPGDCYP2C9CYP2C19POLB | |
| SCHEMBL109215 | 0.78 | AKR1B1 (1.00) | AKR1B1CYP2C9CYP2C19LMNAGAA | |
| SCHEMBL3765157 | 0.78 | HPGD (0.78) | AKR1B1HPGDCYP2C9CYP2C19LMNA | |
| Hydrochloric Acid SCHEMBL1374156 | 0.77 | AKR1B1 (0.95) | AKR1B1CYP2C9CYP2C19LMNAGAA |
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-117447371-A | Preparation method of 2-chloro-6- (phenylthio) phenylacetic acid | 博骥源（上海）生物医药有限公司 | 2024-01-26 | — | — | CN | claimed |
| CN-117447371-A | Preparation method of 2-chloro-6- (phenylthio) phenylacetic acid | 博骥源（上海）生物医药有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-117447371-A | Preparation method of 2-chloro-6- (phenylthio) phenylacetic acid | 博骥源（上海）生物医药有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-117447371-A | Preparation method of 2-chloro-6- (phenylthio) phenylacetic acid | 博骥源（上海）生物医药有限公司 | 2024-01-26 | — | — | CN | disclosed |