Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GLS | O94925 | 2/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3710557 | 0.98 | CA1 (0.37) | CA1CA2CA4CA5ACA5B | |
| SCHEMBL19370115 | 0.83 | CA1 (0.40) | CA1CA2CA4CA5ACA5B | |
| SCHEMBL12503454 | 0.81 | KMT2A (0.41) | CA1CA2CA4CA5ACA5B | |
| SCHEMBL10285896 | 0.76 | SMN1; SMN2 (0.43) | CA1CA2CA4CA5ACA5B | |
| SCHEMBL2540881 | 0.74 | MEN1 (0.38) | CA1CA2CA4CA5ACA5B | |
| SCHEMBL12891001 | 0.73 | KCNH2 (0.35) | CA1CA2CA4CA5ACA5B | |
| SCHEMBL13188898 | 0.71 | CA1 (0.41) | CA1CA2CA4CA5ACA5B | |
| SCHEMBL17328525 | 0.71 | — | — | |
| SCHEMBL254763 | 0.71 | CA1 (0.46) | CA1CA2CA4CA5ACA5B | |
| SCHEMBL14770090 | 0.71 | MEN1 (0.34) | CA1CA2CA4CA5ACA5B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |