Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28105938 | 0.80 | — | — | |
| SCHEMBL3744691 | 0.76 | CYP1A2 (0.33) | ALDH1A1 | |
| SCHEMBL27771525 | 0.67 | NQO1 (0.32) | ALDH1A1MAPK1TDP1 | |
| SCHEMBL28000497 | 0.66 | PTPN1 (0.39) | ALDH1A1TDP1 | |
| SCHEMBL9013321 | 0.64 | — | — | |
| SCHEMBL8620985 | 0.63 | ALDH1A1 (0.41) | ALDH1A1MAPK1TDP1 | |
| SCHEMBL28064902 | 0.62 | CHRNA4 (0.47) | ALDH1A1 | |
| SCHEMBL28052202 | 0.62 | PIM1 (0.32) | ALDH1A1MAPK1TDP1 | |
| SCHEMBL28007109 | 0.62 | — | — | |
| SCHEMBL28277344 | 0.62 | — | — |
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-106794259-A | Method of conjugating peptides or proteins using an agent comprising a leaving group comprising a PEG moiety | 宝力泰锐克斯有限公司 | 2017-05-31 | — | — | CN | disclosed |