Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 8/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.33 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19639893 | 0.82 | HTR2A (0.41) | NISCHCYP3A4HTR2AHTR2CALDH1A1 | |
| SCHEMBL19639881 | 0.81 | HRH3 (0.42) | CYP3A4HTR2AHTR2CALDH1A1TSHR | |
| SCHEMBL19639917 | 0.79 | HRH3 (0.44) | CYP3A4HTR2AHTR2CALDH1A1TSHR | |
| SCHEMBL23255375 | 0.79 | ALDH1A1 (0.44) | SLC6A2SLC6A4SLC6A3NISCHHTR2C | |
| SCHEMBL23830552 | 0.76 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL17484556 | 0.75 | RORC (0.39) | HTR2AHTR2C | |
| SCHEMBL28531862 | 0.74 | KCNH2 (0.42) | CYP3A4CYP2D6CYP2C9CYP2C19HTR2A | |
| SCHEMBL10265352 | 0.68 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2HPGDTAAR1TP53 | |
| SCHEMBL44501 | 0.68 | ALDH1A1 (0.67) | CYP3A4ALDH1A1SMN1; SMN2TSHRMAPK1 | |
| SCHEMBL17485895 | 0.68 | CHKA (0.47) | CYP3A4ALDH1A1SMN1; SMN2TSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022086085-A1 | BENZIMIDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND USE THEREOF | 고려대학교 산학협력단 | 2022-04-28 | — | — | WO | disclosed |