Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | PRKCA | P17252 | 7/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11400357 | 0.86 | CYP1A2 (0.53) | CYP1A2PRKCA | |
| SCHEMBL17822545 | 0.85 | CA1 (0.43) | CYP1A2CA1CA9PRKCA | |
| SCHEMBL19388490 | 0.85 | CA1 (0.43) | CYP1A2CA1CA9PRKCA | |
| SCHEMBL19919867 | 0.85 | CA1 (0.43) | CYP1A2CA1CA9PRKCA | |
| SCHEMBL4951980 | 0.79 | CA1 (0.40) | CYP1A2CA1CA9PRKCA | |
| SCHEMBL9464860 | 0.77 | CA1 (0.39) | CYP1A2CA1CA9PRKCA | |
| SCHEMBL8556521 | 0.77 | CA1 (0.39) | CYP1A2CA1CA9PRKCA | |
| SCHEMBL18231013 | 0.76 | CA1 (0.39) | CYP1A2CA1CA9PRKCA | |
| SCHEMBL11674183 | 0.74 | CA1 (0.41) | CYP1A2CA1CA9PRKCA | |
| SCHEMBL15116733 | 0.74 | — | — |
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-9770439-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-26 | — | — | US | disclosed |