Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | MLYCD | O95822 | 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 | |
|---|---|---|---|---|
| SCHEMBL8155894 | 0.89 | CA14 (0.38) | CA2CA14CA12CA1CYP2D6 | |
| SCHEMBL20262979 | 0.86 | CA14 (0.42) | CA2CA14CA12CA1CA7 | |
| SCHEMBL20326558 | 0.84 | CA1 (0.45) | CA2CA14CA12CA1CA9 | |
| SCHEMBL20055160 | 0.83 | CA14 (0.35) | CA2CA14CA12CA1CYP2D6 | |
| SCHEMBL2862223 | 0.83 | CA1 (0.38) | CA2CA14CA12CA1CA9 | |
| SCHEMBL1688828 | 0.82 | CA14 (0.41) | CA2CA14CA12CA1CYP2D6 | |
| SCHEMBL21949033 | 0.81 | CA14 (0.36) | CA2CA14CA12CA1HDAC1 | |
| SCHEMBL13570150 | 0.81 | CA14 (0.38) | CA2CA14CA12CA1HDAC1 | |
| SCHEMBL15253867 | 0.81 | CA14 (0.40) | CA2CA14CA12CA1CA7 | |
| SCHEMBL24970035 | 0.79 | CA1 (0.38) | CA2CA14CA12CA1CA9 |
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-2012039717-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-29 | — | — | WO | disclosed |