Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | OGG1 | O15527 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21001669 | 0.81 | SLC6A2 (0.46) | SLC6A2SLC6A3CES2CES1HDAC3 | |
| SCHEMBL18994620 | 0.80 | SLC6A2 (0.49) | GSK3BSLC6A2SLC6A4SLC6A3CES2 | |
| SCHEMBL10509626 | 0.80 | PGR (0.52) | SLC6A2SLC6A3CES2CES1HTT | |
| SCHEMBL3033043 | 0.78 | SLC6A2 (0.47) | GSK3BSLC6A2SLC6A4SLC6A3CES2 | |
| SCHEMBL6823649 | 0.77 | OGG1 (0.47) | GSK3BSLC6A2SLC6A4SLC6A3CES2 | |
| SCHEMBL342966 | 0.77 | GSK3B (0.48) | GSK3BSLC6A2SLC6A4SLC6A3CES2 | |
| SCHEMBL3391675 | 0.76 | HTT (0.55) | GSK3BSLC6A2SLC6A4SLC6A3CES2 | |
| SCHEMBL27162124 | 0.74 | HAO1 (0.45) | GSK3BSLC6A2SLC6A4SLC6A3CES2 | |
| SCHEMBL31070148 | 0.74 | CES2 (0.50) | GSK3BSLC6A2SLC6A4SLC6A3CES2 | |
| SCHEMBL15309561 | 0.73 | SLC6A2 (0.46) | GSK3BSLC6A2SLC6A4SLC6A3CES2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110483400-B | Preparation method of pyrazole derivative | 上海应用技术大学 | 2023-04-28 | — | — | CN | claimed |
| CN-110483400-B | Preparation method of pyrazole derivative | 上海应用技术大学 | 2023-04-28 | — | — | CN | disclosed |