Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANO1 | Q5XXA6 | 2/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | NLRP3 | Q96P20 | 9/20 | 0.50 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.47 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.47 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.47 |
| ▸ | SGK1 | O00141 | 1/20 | 0.46 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | SPR | P35270 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16143078 | 0.82 | EGFR (0.57) | ANO1CA1CA2SHMT1SHMT2 | |
| SCHEMBL20382971 | 0.82 | CA1 (0.54) | ANO1CA1CA2NLRP3SHMT1 | |
| SCHEMBL11627168 | 0.82 | CA1 (0.54) | ANO1CA1CA2SHMT1SHMT2 | |
| SCHEMBL2951157 | 0.81 | AOC2 (0.59) | ANO1NLRP3CTBP2DYRK2SIGMAR1 | |
| SCHEMBL7342803 | 0.81 | CTBP2 (0.51) | ANO1NLRP3CTBP2SGK1DYRK2 | |
| SCHEMBL10986259 | 0.80 | MEN1 (0.59) | CA1CA2HDAC6 | |
| SCHEMBL31306545 | 0.80 | ANO1 (0.69) | ANO1NLRP3 | |
| SCHEMBL21197987 | 0.80 | ANO1 (0.69) | ANO1NLRP3 | |
| SCHEMBL13753606 | 0.80 | MEN1 (0.63) | ANO1CA1CA2SIGMAR1 | |
| SCHEMBL26257143 | 0.79 | CA1 (0.48) | ANO1CA1CA2SHMT1SHMT2 |
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-2012043445-A1 | CYCLOHEXANE DERIVATIVE COMPOUND | 第一三共株式会社 (JP) | 2012-04-05 | — | — | WO | disclosed |