Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.33 |
| ▸ | HTR3B | O95264 | 2/20 | 0.33 |
| ▸ | HTR3A | P46098 | 2/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7266119 | 0.81 | HRH4 (0.56) | GABRR1HRH2HRH1HRH4HRH3 | |
| Hydrochloric Acid SCHEMBL7274987 | 0.79 | TDP1 (0.57) | GABRR1HRH2HRH1HRH4HRH3 | |
| SCHEMBL28285468 | 0.77 | HRH3 (0.42) | GABRR1HRH2HRH1HRH4HRH3 | |
| SCHEMBL7312965 | 0.72 | HRH3 (0.38) | GABRR1HRH2HRH1HRH4HRH3 | |
| SCHEMBL23418438 | 0.72 | HRH3 (0.41) | GABRR1HRH2HRH1HRH4HRH3 | |
| Hydrochloric Acid SCHEMBL7313845 | 0.71 | TDP1 (0.40) | GABRR1HRH2HRH1HRH4HRH3 | |
| SCHEMBL14290737 | 0.70 | HRH3 (0.39) | GABRR1HRH2HRH1HRH4HRH3 | |
| SCHEMBL10728091 | 0.69 | HRH3 (0.47) | HRH2HRH1HRH4HRH3TDP1 | |
| SCHEMBL721194 | 0.67 | HRH3 (0.41) | HRH2HRH1HRH4HRH3TDP1 | |
| SCHEMBL7316202 | 0.67 | MAP3K7 (0.36) | ALDH1A1NR4A2HSD17B10CYP2C19NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0242973-B1 | INDOLE DERIVATIVES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 1991-07-17 | — | — | EP | disclosed |
| US-4808581-A | ANXIOLYTIC, ANTIEMETIC, TREATMENT OF PSYCHOLOGICAL DISORDERS | GLAXO GROUP LIMITED (GB) | 1989-02-28 | — | — | US | disclosed |
| EP-0242973-A1 | Indole derivatives, method for their preparation and pharmaceutical compositions containing them | GLAXO GROUP LIMITED (GB) | 1987-10-28 | — | — | EP | disclosed |