Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CHKA | P35790 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 3/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | TERT | O14746 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CASP4 | P49662 | 1/20 | 0.33 |
| ▸ | CASP5 | P51878 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7811500 | 0.91 | — | — | |
| SCHEMBL2439624 | 0.82 | BPTF (0.53) | CYP1A2ALDH1A1MAPK1HTTHRH4 | |
| SCHEMBL907776 | 0.82 | HTT (0.44) | ALDH1A1HTTSMN1; SMN2CNR2MAPT | |
| Water SCHEMBL27506673 | 0.80 | BPTF (0.51) | CYP1A2ALDH1A1MAPK1HTTHRH4 | |
| SCHEMBL12607645 | 0.74 | SLC6A7 (0.49) | CYP1A2ALDH1A1MAPK1CHKAHPGD | |
| SCHEMBL31005942 | 0.74 | SLC6A7 (0.49) | CYP1A2ALDH1A1MAPK1CHKAHPGD | |
| SCHEMBL14503215 | 0.74 | CYP1A2 (0.75) | CYP1A2ALDH1A1MAPK1HPGDHTT | |
| SCHEMBL1834829 | 0.72 | CYP1A2 (0.50) | CYP1A2ALDH1A1MAPK1HPGDCNR2 | |
| SCHEMBL17104830 | 0.70 | — | — | |
| SCHEMBL9367582 | 0.70 | ALDH1A1 (0.40) | CYP1A2ALDH1A1HPGDCNR2TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1030319-C | 20- and 21-amino steroid | EUPJOHN CORP (US) | 1995-11-22 | — | — | CN | disclosed |
| CN-86106226-A | 20-and 21-amino steroids | — | 1987-03-18 | — | — | CN | disclosed |