Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | TNKS | O95271 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6852509 | 0.89 | NFKB1 (0.61) | CA1CA2NFKB1CA4PARP1 | |
| SCHEMBL8726893 | 0.89 | NFKB1 (0.61) | CA1CA2NFKB1CA4PARP1 | |
| SCHEMBL9072389 | 0.81 | NFKB1 (0.53) | CA1CA2NFKB1CA4PARP1 | |
| SCHEMBL11138672 | 0.81 | PARP1 (0.69) | CA1CA2NFKB1CA4PARP1 | |
| SCHEMBL8746630 | 0.81 | PARP1 (0.69) | CA1CA2NFKB1CA4PARP1 | |
| SCHEMBL16048251 | 0.80 | CTSL (0.64) | CA1CA2NFKB1CA4PARP1 | |
| SCHEMBL16048249 | 0.80 | CTSL (0.64) | CA1CA2NFKB1CA4PARP1 | |
| SCHEMBL6853099 | 0.79 | HCAR2 (0.51) | CA1CA2PARP1KEAP1NFE2L2 | |
| SCHEMBL28520475 | 0.79 | CA1 (0.50) | CA1CA2NFKB1CA4PARP1 | |
| SCHEMBL28512546 | 0.79 | CA1 (0.50) | CA1CA2NFKB1CA4PARP1 |
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-2011021645-A1 | BICYCLIC UREA DERIVATIVE OR PHARMACOLOGICALLY PERMITTED SALT THEREOF | 大日本住友製薬株式会社 (JP) | 2011-02-24 | — | — | WO | disclosed |