Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | C1S | P09871 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | SELL | P14151 | 1/20 | 0.32 |
| ▸ | SELP | P16109 | 1/20 | 0.32 |
| ▸ | SELE | P16581 | 1/20 | 0.32 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28040385 | 0.97 | ALDH1A1 (0.40) | ALDH1A1TSHRACHETPMTCA2 | |
| SCHEMBL10320771 | 0.76 | ALDH1A1 (0.44) | ALDH1A1TSHRACHETPMTCA2 | |
| SCHEMBL28425258 | 0.73 | ALDH1A1 (0.57) | ALDH1A1TSHRACHETPMTCA1 | |
| SCHEMBL19376983 | 0.73 | ALDH1A1 (0.57) | ALDH1A1TSHRACHETPMTCA1 | |
| SCHEMBL26115 | 0.73 | — | — | |
| SCHEMBL341533 | 0.73 | ALDH1A1 (0.67) | ALDH1A1TSHRACHETPMTSMN1; SMN2 | |
| SCHEMBL63955 | 0.71 | ALDH1A1 (0.45) | ALDH1A1TSHRACHETPMTCA2 | |
| SCHEMBL14763698 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TSHRACHETPMTCA2 | |
| SCHEMBL1453162 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TSHRACHETPMTCA2 | |
| SCHEMBL25403949 | 0.69 | ALDH1A1 (0.61) | ALDH1A1TSHRACHETPMTSMN1; SMN2 |
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-102666561-B | Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement | SUMITOMO CHEMICAL CO.,LTD. (JP) | 2015-11-25 | — | — | CN | disclosed |