Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | STAT6 | P42226 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6192325 | 0.88 | ALDH1A1 (0.45) | ALDH1A1TDP1TSHRMAPK1GSK3B | |
| SCHEMBL6191701 | 0.85 | PTGS2 (0.40) | ALDH1A1TDP1TSHRMAPK1KIF18A | |
| SCHEMBL6187312 | 0.81 | HSD17B10 (0.42) | HSD17B10 | |
| SCHEMBL6191439 | 0.81 | EIF4E (0.35) | ALDH1A1TDP1MAPK1HSD17B10TP53 | |
| SCHEMBL8550679 | 0.80 | S100A4 (0.33) | ALDH1A1TDP1PTPRCMAPK1S100A4 | |
| SCHEMBL3535919 | 0.80 | ALDH1A1 (0.53) | ALDH1A1TDP1MAPK1MAPTHSD17B10 | |
| SCHEMBL5404643 | 0.77 | ALDH1A1 (0.38) | ALDH1A1TDP1TSHRMAPTCYP3A4 | |
| SCHEMBL1746864 | 0.77 | NPBWR1 (0.37) | ALDH1A1TDP1PTPRCMAPK1MAPT | |
| SCHEMBL6683239 | 0.77 | HTR7 (0.42) | ALDH1A1TDP1PTPRCMAPK1S100A4 | |
| SCHEMBL5150349 | 0.76 | TSHR (0.48) | ALDH1A1TDP1TSHRPTPRCMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1585727-A1 | INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES | Akzo Nobel N.V. (NL) | 2005-10-19 | — | — | EP | disclosed |
| WO-2004041782-A1 | INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES | AKZO NOBEL N.V. (NL) | 2004-05-21 | — | — | WO | disclosed |