Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.52 |
| ▸ | IDO1 | P14902 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 7/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL194494 | 0.97 | — | — | |
| SCHEMBL29474232 | 0.97 | — | — | |
| SCHEMBL26691056 | 0.82 | TP53 (0.58) | TP53IDO1TSHRCYP3A4HSD17B10 | |
| SCHEMBL8486284 | 0.79 | ITGB2 (0.42) | TP53IDO1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL6514346 | 0.78 | TP53 (0.52) | TP53IDO1TSHRCYP3A4HSD17B10 | |
| SCHEMBL3054170 | 0.77 | — | — | |
| SCHEMBL29497656 | 0.77 | — | — | |
| SCHEMBL8488851 | 0.76 | ITGB2 (0.40) | TP53IDO1TSHRCYP3A4HSD17B10 | |
| SCHEMBL1968216 | 0.74 | — | — | |
| SCHEMBL691334 | 0.74 | — | — |
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-104558318-B | Olefin polymerization initiator and preparation method thereof | 北京化工大学 | 2017-02-01 | — | — | CN | disclosed |