Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.55 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.55 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.55 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.42 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL827602 | 0.81 | PLAU (0.49) | CA2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL24447297 | 0.81 | CA2 (0.57) | CA2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL27864052 | 0.79 | HDAC3 (0.58) | CA2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL4803355 | 0.79 | CA2 (0.55) | CA2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2116664 | 0.79 | HDAC3 (0.58) | CA2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5537371 | 0.79 | CA2 (0.55) | CA2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2173724 | 0.79 | CA2 (0.59) | CA2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL8184083 | 0.77 | CA2 (0.53) | CA2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL24380301 | 0.77 | CA2 (0.53) | CA2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6762815 | 0.77 | CA2 (0.53) | CA2HDAC3HDAC4HDAC1HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103058988-B | Thionaphthene and derivative and preparation method thereof thereof and application | CHINA RENIMIN UNIV. (CN) | 2015-09-02 | — | — | CN | disclosed |