Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 6/20 | 0.57 |
| ▸ | CA2 | P00918 | 6/20 | 0.57 |
| ▸ | ACHE | P22303 | 6/20 | 0.57 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.54 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 4/20 | 0.51 |
| ▸ | DRD3 | P35462 | 4/20 | 0.51 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10398545 | 0.89 | CYP26A1 (0.50) | CYP26A1CA1CA2ACHEMTNR1A | |
| SCHEMBL11851549 | 0.86 | CA1 (0.57) | CYP26A1CA1CA2ACHEMTNR1A | |
| SCHEMBL10398507 | 0.84 | CA1 (0.56) | CA1CA2ACHEDRD2DRD3 | |
| SCHEMBL10398569 | 0.84 | HDAC8 (0.43) | CYP26A1CA1CA2ACHEMTNR1A | |
| SCHEMBL10399481 | 0.82 | GRIN1 (0.54) | CYP26A1CA1CA2ACHEDRD2 | |
| SCHEMBL8624827 | 0.79 | CA1 (0.64) | CYP26A1CA1CA2ACHEMTNR1A | |
| SCHEMBL8237115 | 0.79 | CA1 (0.64) | CYP26A1CA1CA2ACHEMTNR1A | |
| SCHEMBL8624829 | 0.79 | CA1 (0.64) | CYP26A1CA1CA2ACHEMTNR1A | |
| Hydrochloric Acid SCHEMBL10851134 | 0.77 | CA1 (0.63) | CYP26A1CA1CA2ACHEMTNR1A | |
| SCHEMBL10399460 | 0.77 | MTNR1A (0.51) | CA1CA2MTNR1AMTNR1BDRD2 |
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-4975461-A | Enzymes/oxidoreductases/inhibitors | E. R. SQUIBB & SONS, INC. (US) | 1990-12-04 | — | — | US | disclosed |