Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | ESRRA | P11474 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | NPFFR1 | Q9GZQ6 | 2/20 | 0.32 |
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | CDC7 | O00311 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL30576768 | 0.81 | KMT2A (0.41) | PARP1CDC7 | |
| SCHEMBL30576827 | 0.73 | DHODH (0.48) | — | |
| SCHEMBL26606446 | 0.73 | DHODH (0.48) | — | |
| SCHEMBL6071365 | 0.72 | F2 (0.53) | — | |
| SCHEMBL20567143 | 0.70 | CHRM3 (0.51) | PARP1 | |
| SCHEMBL30576800 | 0.70 | FLT3 (0.42) | PARP1 | |
| SCHEMBL30576808 | 0.69 | PARP1 (0.36) | PARP1PNMT | |
| SCHEMBL30576779 | 0.68 | ITGB3 (0.41) | PARP1 | |
| SCHEMBL24177167 | 0.67 | CES2 (0.47) | CES2PARP1GPR52 | |
| SCHEMBL1002163 | 0.67 | CES2 (0.72) | CES2PARP1GPR52 |
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-116829542-A | Benzothiazole and benzimidazole derivatives, pharmaceutically acceptable salts, preparation method thereof and pharmaceutical composition containing same as active ingredient | 韩国化学研究院 | 2023-09-29 | — | — | CN | disclosed |