Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 11/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.68 |
| ▸ | MEN1 | O00255 | 5/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.68 |
| ▸ | TSHR | P16473 | 4/20 | 0.68 |
| ▸ | RECQL | P46063 | 1/20 | 0.68 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.62 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HTR1A | P08908 | 2/20 | 0.51 |
| ▸ | HTR7 | P34969 | 2/20 | 0.51 |
| ▸ | HTR6 | P50406 | 2/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | HTR5A | P47898 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3319555 | 0.78 | HTR7 (0.58) | CYP1A2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL4560009 | 0.77 | HRH4 (0.54) | CYP1A2CYP3A4CYP2D6CLK4HTR1A | |
| SCHEMBL13117197 | 0.76 | CYP46A1 (0.55) | CYP1A2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL19124979 | 0.76 | HTR7 (0.55) | CYP1A2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL1938550 | 0.74 | ALDH1A1 (0.60) | CYP1A2CYP3A4CYP2D6TSHRRECQL | |
| SCHEMBL14276742 | 0.73 | SLC9A1 (1.00) | SLC9A1MAPK1 | |
| Hydrochloric Acid SCHEMBL2796187 | 0.72 | HTR1A (0.58) | CYP1A2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL23932472 | 0.72 | CYP2D6 (0.64) | CYP1A2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL13354928 | 0.72 | CYP2D6 (0.52) | CYP1A2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL31737441 | 0.72 | CYP2D6 (0.64) | CYP1A2CYP3A4CYP2D6MEN1KMT2A |
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 |