Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NAMPT | P43490 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709272 | 0.92 | CA12 (0.64) | CA12CA1CA2CA9MAPT | |
| SCHEMBL21709273 | 0.87 | MAPT (0.59) | CA12CA1CA2CA9MAPT | |
| SCHEMBL5368088 | 0.83 | CA12 (0.60) | CA12CA1CA2CA9MAPT | |
| SCHEMBL21709265 | 0.82 | CA12 (0.66) | CA12CA1CA2CA9MAPT | |
| SCHEMBL8099685 | 0.79 | CA1 (0.73) | CA12CA1CA2CA9MAPT | |
| SCHEMBL2224069 | 0.79 | CA12 (0.73) | CA12CA1CA2CA9MAPT | |
| SCHEMBL7265002 | 0.79 | CA12 (0.73) | CA12CA1CA2CA9MAPT | |
| SCHEMBL10359474 | 0.79 | CA12 (0.73) | CA12CA1CA2CA9MAPT | |
| SCHEMBL901614 | 0.79 | CA12 (0.73) | CA12CA1CA2CA9MAPT | |
| Water SCHEMBL11279885 | 0.77 | CA12 (0.71) | CA12CA1CA2CA9MAPT |
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-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |