Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | APLNR | P35414 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL12396882 | 0.85 | CA12 (0.49) | CA12CA14CA2CA1CA7 | |
| SCHEMBL4212292 | 0.85 | CA12 (0.42) | CA12CA14CA2CA1CA7 | |
| SCHEMBL7815313 | 0.85 | CA12 (0.45) | CA12CA14CA2CA1CA7 | |
| SCHEMBL14979848 | 0.85 | CA12 (0.40) | CA12CA14CA2CA1CA7 | |
| SCHEMBL25736271 | 0.82 | TDP1 (0.43) | CA12CA14CA2CA1CA7 | |
| SCHEMBL313730 | 0.81 | CA12 (0.44) | CA12CA14CA2CA1CA7 | |
| SCHEMBL4193420 | 0.81 | CA12 (0.47) | CA12CA14CA2CA1CA7 | |
| SCHEMBL10099084 | 0.81 | CA12 (0.46) | CA12CA14CA2CA1CA7 | |
| SCHEMBL13729324 | 0.80 | CA12 (0.43) | CA12CA14CA2CA1CA7 | |
| SCHEMBL13128203 | 0.80 | TDP1 (0.48) | CA12CA14CA2CA1CA7 |
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 |