Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | Q9HBH1 | 1/20 | 0.33 | |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.31 |
| ▸ | S1PR2 | O95136 | 4/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.30 |
| ▸ | ZDHHC7 | Q9NXF8 | 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 SCHEMBL2646936 | 0.86 | SMN1; SMN2 (0.39) | TSHRCA1CA2SMN1; SMN2KDM4E | |
| SCHEMBL2646939 | 0.86 | — | — | |
| SCHEMBL21604730 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL2646938 | 0.86 | SMN1; SMN2 (0.39) | TSHRCA1CA2SMN1; SMN2KDM4E | |
| Hydrochloric Acid SCHEMBL30497152 | 0.86 | SMN1; SMN2 (0.39) | TSHRCA1CA2SMN1; SMN2KDM4E | |
| Trifluoroacetic Acid SCHEMBL5319837 | 0.83 | CA1 (0.40) | PDFTSHRCA1CA2S1PR1 | |
| Trifluoroacetic Acid SCHEMBL10443997 | 0.79 | S1PR1 (0.37) | PDFTSHRCA1CA2S1PR1 | |
| Trifluoroacetic Acid SCHEMBL27623317 | 0.71 | SMN1; SMN2 (0.39) | PDFCA1CA2SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL2475408 | 0.71 | CACNA2D1 (0.41) | DPP4 | |
| SCHEMBL9263125 | 0.71 | — | — |
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-2007081901-A2 | PYRIMIDINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2007-07-19 | — | — | WO | disclosed |