Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 10/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9046975 | 0.81 | AKR1C3 (0.44) | AKR1C3AKR1C2HTR6 | |
| SCHEMBL9047869 | 0.80 | KMT2A (0.50) | HTR3A | |
| SCHEMBL5790264 | 0.74 | HTR6 (0.49) | AKR1C3HTR6 | |
| SCHEMBL28436678 | 0.73 | PTGDR2 (0.48) | KCNH2HTR6 | |
| SCHEMBL6384689 | 0.70 | HTR7 (0.50) | — | |
| SCHEMBL959448 | 0.70 | CES2 (0.57) | — | |
| SCHEMBL27617465 | 0.69 | AKR1C3 (0.40) | KCNH2AKR1C3AKR1C2HTR6CNR2 | |
| SCHEMBL10768717 | 0.68 | CHRNA7 (0.46) | — | |
| SCHEMBL7278172 | 0.67 | ALDH1A1 (0.46) | KCNH2HTR6CNR2 | |
| SCHEMBL28436683 | 0.66 | PTGDR2 (0.47) | KCNH2HTR6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0714896-A1 | INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION | VITA-INVEST, S.A. (ES) | 1996-06-05 | — | — | EP | disclosed |