Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7989854 | 0.92 | AR (0.39) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL5742123 | 0.83 | CA1 (0.56) | CA1CA2CA7CA9MAPK1 | |
| SCHEMBL7993253 | 0.83 | CA1 (0.44) | CA1CA2CA7CA9MAPK1 | |
| SCHEMBL27957102 | 0.81 | CA1 (0.45) | CA1CA2CA7CA9MAPK1 | |
| SCHEMBL7989918 | 0.81 | CA1 (0.50) | CA1CA2CA7CA9MAPK1 | |
| SCHEMBL7986919 | 0.79 | CA1 (0.49) | CA1CA2CA7CA9MAPK1 | |
| SCHEMBL7988903 | 0.79 | CA1 (0.49) | CA1CA2CA7CA9MAPK1 | |
| SCHEMBL7456481 | 0.79 | ALDH1A1 (0.35) | ALDH1A1SLC1A1SLC1A3SLC1A2MEN1 | |
| SCHEMBL7502596 | 0.79 | NR4A1 (0.49) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL7989817 | 0.79 | NR4A1 (0.49) | CA1CA2CA7CA9ALDH1A1 |
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-6313177-B1 | AS ANTIVIRAL AGENTS | PHARMACOR INC. (CA) | 2001-11-06 | — | — | US | disclosed |