Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.45 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL2329929 | 0.90 | CA2 (0.71) | CA2CA12CA1CA9CYP3A4 | |
| SCHEMBL2845658 | 0.85 | LMNA (0.55) | CA2CA12CA1CA9CYP19A1 | |
| Hydrochloric Acid SCHEMBL7658573 | 0.85 | CA2 (0.56) | CA2CA12CA1CA9CYP3A4 | |
| SCHEMBL9539212 | 0.83 | ALDH1A1 (0.56) | CA2CA12CA1CA9ALDH1A1 | |
| SCHEMBL7649531 | 0.82 | CYP3A4 (0.43) | CA2CA12CA1CA9CYP3A4 | |
| SCHEMBL7657519 | 0.82 | HTT (0.44) | CA2CA1CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL7013344 | 0.80 | CYP11B2 (0.60) | CYP3A4CYP19A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7892614 | 0.80 | SOS1 (0.58) | CA2CA1CA9ALDH1A1PTGS2 | |
| SCHEMBL18194403 | 0.78 | CA2 (0.73) | CA2CA12CA1CA9CYP3A4 | |
| SCHEMBL433497 | 0.77 | HTT (0.58) | ALDH1A1 |
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-6339092-B1 | FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS | ADIR ET COMPAGNIE (FR) | 2002-01-15 | — | — | US | disclosed |