Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 5/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6558441 | 0.78 | CA1 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL31347528 | 0.78 | CA1 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL30040149 | 0.77 | AR (0.44) | CA1CA2CA7CA9CA12 | |
| SCHEMBL14360010 | 0.77 | AR (0.44) | CA1CA2CA7CA9CA12 | |
| SCHEMBL10802674 | 0.74 | ALDH1A1 (0.33) | ARIMPDH2IMPDH1ALDH1A1MAPK1 | |
| SCHEMBL8784754 | 0.73 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL5675558 | 0.73 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL3671684 | 0.73 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL28453996 | 0.72 | CA1 (0.39) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4160048 | 0.71 | CYP2D6 (0.40) | ALDH1A1TSHRGAAMAPK1KDM4E |
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-1523556-A1 | METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG-1 RECEPTOR | SRI INTERNATIONAL (US) | 2005-04-20 | — | — | EP | disclosed |
| WO-2004009816-A1 | METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG-1 RECEPTOR | CERETEK LLC (US) | 2004-01-29 | — | — | WO | disclosed |