Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | CTSG | P08311 | 1/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL26091025 | 0.84 | TDP1 (0.45) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL900466 | 0.81 | ALDH1A1 (0.54) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL29557122 | 0.80 | TDP1 (0.44) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28808083 | 0.78 | LMNA (0.57) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2118322 | 0.78 | MMP1 (0.40) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15977365 | 0.77 | CYP3A4 (0.47) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16401664 | 0.76 | TDP1 (0.56) | ALDH1A1MAPTMAPK1LMNANPC1 | |
| SCHEMBL7575766 | 0.76 | ELANE (0.38) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL32681167 | 0.75 | ELANE (0.36) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6354305 | 0.75 | RAB9A (0.57) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1 |
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-111808003-A | Preparation method of thioether | 甘肃农业大学 | 2020-10-23 | — | — | CN | claimed |
| CN-111808003-A | Preparation method of thioether | 甘肃农业大学 | 2020-10-23 | — | — | CN | disclosed |