Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL24773107 | 0.73 | ALDH1A1 (0.44) | ALDH1A1TSHR | |
| SCHEMBL2551266 | 0.71 | KDM4E (0.50) | KDM4EALDH1A1TSHR | |
| SCHEMBL7281160 | 0.69 | KDM4E (0.33) | KDM4EALDH1A1 | |
| SCHEMBL17816265 | 0.69 | DGAT1 (0.33) | KDM4EDGAT1MAPT | |
| SCHEMBL75290 | 0.68 | — | — | |
| SCHEMBL21580044 | 0.68 | — | — | |
| SCHEMBL8693255 | 0.68 | SCN9A (0.35) | KDM4E | |
| SCHEMBL16454743 | 0.68 | AAK1 (0.35) | KDM4EDGAT1ALDH1A1MAPT | |
| SCHEMBL165039 | 0.68 | ATR (0.40) | — | |
| SCHEMBL23869806 | 0.67 | CYP19A1 (0.43) | CYP19A1KDM4EALDH1A1TSHR |
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-108084111-A | A kind of synthetic method of aminated compounds of the pharmaceutical intermediate containing sulfur nitrogen heterocycle | 北京六合宁远科技有限公司 | 2018-05-29 | — | — | CN | claimed |
| CN-108084111-A | A kind of synthetic method of aminated compounds of the pharmaceutical intermediate containing sulfur nitrogen heterocycle | 北京六合宁远科技有限公司 | 2018-05-29 | — | — | CN | disclosed |