Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | PDE2A | O00408 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 5/20 | 0.52 |
| ▸ | CNR1 | P21554 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | PHGDH | O43175 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28509438 | 1.00 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDLMNAHSD17B10 | |
| SCHEMBL28509439 | 1.00 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDLMNAHSD17B10 | |
| SCHEMBL2408114 | 0.83 | ATM (0.46) | ALDH1A1ATMCYP1A2GAACYP2C9 | |
| SCHEMBL28454793 | 0.83 | ACACB (0.52) | ALDH1A1KDM4EHPGDLMNAHSD17B10 | |
| SCHEMBL28455716 | 0.83 | ACACB (0.52) | ALDH1A1KDM4EHPGDLMNAHSD17B10 | |
| SCHEMBL28454792 | 0.83 | ACACB (0.52) | ALDH1A1KDM4EHPGDLMNAHSD17B10 | |
| SCHEMBL9330037 | 0.83 | GAA (0.50) | ALDH1A1ATMCYP1A2GAACYP2C9 | |
| SCHEMBL10705514 | 0.82 | CTSS (0.50) | ALDH1A1ATMCYP1A2GAACYP2C9 | |
| SCHEMBL4173835 | 0.82 | CTSV (0.53) | ALDH1A1ATMCYP1A2GAACYP2C9 | |
| SCHEMBL16643752 | 0.81 | GAA (0.55) | ALDH1A1KDM4EHPGDATMCYP1A2 |
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-109156471-B | Application of 1, 3-dimethyl-1H-pyrazole-4-amide derivative in preparation of herbicide | 浙江工业大学 | 2020-12-15 | — | — | CN | disclosed |