Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 7/20 | 0.38 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8354955 | 0.81 | CA1 (0.42) | CA12CA1CA7CA14CTSS | |
| SCHEMBL13729324 | 0.75 | CA12 (0.43) | CA12CA1CA7CA14CTSK | |
| SCHEMBL8355292 | 0.75 | CA12 (0.41) | CA12CA1CA7CA14KMT2A | |
| SCHEMBL8011499 | 0.74 | CA12 (0.52) | CA12CA1CA7CA14CTSS | |
| SCHEMBL313730 | 0.73 | CA12 (0.44) | CA12CA1CA7CA14CTSK | |
| SCHEMBL4193420 | 0.73 | CA12 (0.47) | CA12CA1CA7CA14CTSS | |
| SCHEMBL31407962 | 0.73 | CA12 (0.48) | CA12CA1CA7CA14CTSS | |
| SCHEMBL25736271 | 0.71 | TDP1 (0.43) | CA12CA1CA7CA14MEN1 | |
| SCHEMBL7819148 | 0.71 | CA12 (0.42) | CA12CA1CA7CA14CTSS | |
| SCHEMBL4187556 | 0.71 | CA12 (0.43) | CA12CA1CA7CA14NQO2 |
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-2004043339-A2 | SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |