Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MDM4 | O15151 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL104340 | 1.00 | CYP3A4 (0.52) | CYP3A4CASP1RECQLALDH1A1CA1 | |
| Hydrochloric Acid SCHEMBL27725146 | 0.98 | CYP3A4 (0.50) | CYP3A4CASP1RECQLALDH1A1CA1 | |
| SCHEMBL28873267 | 0.89 | ALDH1A1 (0.44) | CYP3A4CASP1RECQLALDH1A1CA1 | |
| SCHEMBL13524553 | 0.87 | MAOA (0.56) | CYP3A4CASP1RECQLALDH1A1CA1 | |
| SCHEMBL23818485 | 0.86 | ALDH1A1 (0.47) | CYP3A4ALDH1A1CA1CA2CA9 | |
| SCHEMBL272384 | 0.85 | CYP3A4 (0.52) | CYP3A4CASP1RECQLALDH1A1CA1 | |
| SCHEMBL17073473 | 0.85 | CYP3A4 (0.42) | CYP3A4CASP1RECQLALDH1A1CA1 | |
| SCHEMBL17064379 | 0.83 | CA1 (0.55) | CYP3A4CASP1RECQLALDH1A1CA1 | |
| SCHEMBL2023304 | 0.83 | CYP3A4 (0.50) | CYP3A4CASP1RECQLALDH1A1CA1 | |
| SCHEMBL3476361 | 0.83 | CYP3A4 (0.50) | CYP3A4CASP1RECQLALDH1A1CA1 |
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-115867277-A | Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof | 韩国科学技术研究院 | 2023-03-28 | — | — | CN | disclosed |