Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.32 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28099279 | 0.90 | ALDH1A1 (0.33) | ALDH1A1CYP3A4CYP2C9CYP2C19THRB | |
| SCHEMBL8766001 | 0.80 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CYP2C9CYP2C19THRB | |
| SCHEMBL7557787 | 0.79 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20 | |
| SCHEMBL275376 | 0.74 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2C9CYP2C19THRB | |
| SCHEMBL13464414 | 0.73 | ALDH1A1 (0.33) | ALDH1A1CYP3A4CYP2C9CYP2C19THRB | |
| SCHEMBL2768943 | 0.73 | ALDH1A1 (0.38) | ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20 | |
| SCHEMBL8765522 | 0.73 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP2C9CYP2C19THRB | |
| Hydrochloric Acid SCHEMBL11063305 | 0.72 | ALDH1A1 (0.37) | ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20 | |
| SCHEMBL10936057 | 0.72 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20 | |
| SCHEMBL28005175 | 0.72 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2C9CYP2C19ZDHHC20 |
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-105960420-A | Chain-end thiol-functionalized phosphorus-accumulating polymers and process for their preparation | 米其林集团总公司 | 2016-09-21 | — | — | CN | claimed |