Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13256196 | 1.00 | ALDH1A1 (0.54) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL1455524 | 1.00 | ALDH1A1 (0.54) | ALDH1A1ATMNAAATSHRHPGD | |
| Undecane SCHEMBL28371743 | 0.96 | NAAA (0.55) | ALDH1A1ATMNAAATSHR | |
| SCHEMBL4839922 | 0.93 | NAAA (0.57) | ALDH1A1NAAATSHR | |
| SCHEMBL5690813 | 0.91 | NAAA (0.61) | NAAATSHR | |
| SCHEMBL8379690 | 0.91 | NAAA (0.61) | NAAATSHR | |
| SCHEMBL8376468 | 0.91 | NAAA (0.61) | NAAATSHR | |
| SCHEMBL8379630 | 0.91 | NAAA (0.61) | NAAATSHR | |
| SCHEMBL8375578 | 0.91 | NAAA (0.61) | NAAATSHR | |
| SCHEMBL2160337 | 0.91 | NAAA (0.41) | ALDH1A1ATMNAAATSHRHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6610730-B2 | Viricides; protease inbhibitor | AGOURON PHARMACEUTICALS, INC. | 2003-08-26 | — | — | US | disclosed |