Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | STS | P08842 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.39 |
| ▸ | PTPRB | P23467 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.38 |
| ▸ | MMP13 | P45452 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
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 | 0.86 | CA1 (0.42) | CA12CA1CA14CA7ALDH1A1 | |
| SCHEMBL6124818 | 0.86 | CACNA1B (0.41) | CA12CA1CA14CA7PPARG | |
| SCHEMBL8290203 | 0.77 | CA12 (0.46) | CA12CA1CA14CA7PPARG | |
| SCHEMBL4977511 | 0.76 | ALDH1A1 (0.40) | ALDH1A1KMT2AMMP9MMP13EGFR | |
| SCHEMBL26388338 | 0.75 | PPARG (0.42) | PPARGPPARAALDH1A1KMT2ACACNA1B | |
| SCHEMBL25736271 | 0.75 | TDP1 (0.43) | CA12CA1CA14CA7KMT2A | |
| SCHEMBL8354526 | 0.75 | CA12 (0.43) | CA12CA1CA14CA7CA2 | |
| SCHEMBL8356015 | 0.75 | CA12 (0.43) | CA12CA1CA14CA7ALDH1A1 | |
| SCHEMBL7815313 | 0.74 | CA12 (0.45) | CA12CA1CA14CA7KMT2A | |
| SCHEMBL12396882 | 0.74 | CA12 (0.49) | CA12CA1CA14CA7ALDH1A1 |
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 |