Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 2/20 | 0.36 |
| ▸ | GABRD | O14764 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.36 |
| ▸ | GABRE | P78334 | 2/20 | 0.36 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.36 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.36 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2404264 | 0.89 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHRTDP1KMT2A | |
| SCHEMBL22339977 | 0.87 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TSHRKMT2A | |
| SCHEMBL23077185 | 0.87 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CA1TSHRTDP1 | |
| SCHEMBL9246597 | 0.86 | — | — | |
| SCHEMBL8620850 | 0.85 | MAPT (0.45) | ALDH1A1CA1TP53KMT2A | |
| SCHEMBL1289783 | 0.85 | — | — | |
| SCHEMBL15345276 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CA1TSHRTDP1 | |
| SCHEMBL1121772 | 0.82 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CA1TSHRTDP1 | |
| SCHEMBL12060078 | 0.82 | MAPT (0.57) | KMT2A | |
| SCHEMBL6113589 | 0.79 | — | — |
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-105873917-A | Non-steroidal antiandrogens and selective androgen receptor modulators with pyridyl moiety | 恩多研究公司 | 2016-08-17 | — | — | CN | disclosed |