Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17869073 | 0.93 | CA1 (0.53) | CA1CA2TDP1CA12CA7 | |
| SCHEMBL25330988 | 0.85 | PKM (0.47) | CA1CA2TDP1CA12CA7 | |
| SCHEMBL612696 | 0.85 | MAPT (0.46) | CA1CA2TDP1CA12CA7 | |
| SCHEMBL25331702 | 0.85 | ALDH1A1 (0.51) | CA1CA2TDP1CA12CA7 | |
| SCHEMBL25992742 | 0.82 | MAPT (0.44) | CA1CA2TDP1CA12CA7 | |
| SCHEMBL613744 | 0.81 | ALDH1A1 (0.44) | CA1CA2TDP1CA12CA7 | |
| SCHEMBL24861978 | 0.81 | AKT1 (0.53) | CA1CA2TDP1CA12CA7 | |
| SCHEMBL28166412 | 0.81 | CA1 (0.48) | CA1CA2TDP1CA12CA7 | |
| SCHEMBL20703721 | 0.79 | AKR1C1 (0.53) | CA1CA2TDP1CA12CA7 | |
| SCHEMBL2245739 | 0.78 | CA1 (0.65) | CA1CA2TDP1CA12CA7 |
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-110218227-B | Method for preparing aryl ketone derivative | 苏州大学 | 2021-12-10 | — | — | CN | disclosed |