Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL7613073 | 0.74 | HDAC6 (0.38) | CA14HDAC6HDAC1HDAC2TDP1 | |
| SCHEMBL2866746 | 0.72 | CYP4F2 (0.34) | — | |
| SCHEMBL21614510 | 0.72 | DGAT1 (0.39) | TDP1ALDH1A1TSHRMAPK1 | |
| SCHEMBL23296185 | 0.71 | CA14 (0.46) | CA14HDAC6HDAC1HDAC2TDP1 | |
| SCHEMBL20971448 | 0.71 | TSHR (0.37) | CA14HDAC6HDAC1HDAC2TDP1 | |
| SCHEMBL31618313 | 0.70 | CA14 (0.45) | CA14HDAC6HDAC1HDAC2TDP1 | |
| SCHEMBL18911369 | 0.70 | MEN1 (0.39) | CA14HDAC6HDAC1HDAC2TDP1 | |
| SCHEMBL31584056 | 0.70 | CA14 (0.45) | CA14HDAC6HDAC1HDAC2TDP1 | |
| SCHEMBL30244620 | 0.70 | MEN1 (0.39) | CA14HDAC6HDAC1HDAC2TDP1 | |
| SCHEMBL30324915 | 0.70 | MEN1 (0.39) | CA14HDAC6HDAC1HDAC2TDP1 |
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-113195496-A | Imidazopyrazine derivatives as antibacterial agents | 豪夫迈·罗氏有限公司 | 2021-07-30 | — | — | CN | disclosed |