Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 20/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.64 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.64 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | HTR2A | P28223 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL17515228 | 0.89 | HTR6 (1.00) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| Hydrochloric Acid SCHEMBL17515221 | 0.88 | HTR6 (0.98) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| SCHEMBL17515225 | 0.85 | HTR6 (0.98) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| SCHEMBL5554045 | 0.85 | HTR6 (0.93) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| Water SCHEMBL17515220 | 0.85 | HTR6 (1.00) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| SCHEMBL20629394 | 0.83 | HTR6 (0.60) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| SCHEMBL946439 | 0.82 | HTR6 (0.81) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| SCHEMBL947053 | 0.81 | HTR6 (0.80) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| SCHEMBL946550 | 0.79 | HTR6 (0.76) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| SCHEMBL946444 | 0.78 | HTR6 (0.75) | HTR6CYP3A4CYP2D6ADRA2AADRA2C |
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-3180001-B1 | ACTIVE METABOLITE OF 1-[(2-BROMOPHENYL) SULFONYL]-5-METHOXY-3- [(4-METHYL-1-PIPERAZINYL) METHYL]-1H-INDOLE DIMESYLATE MONOHYDRATE AND DIMESYLATE DIHYDRATE SALT OF ACTIVE METABOLITE | SUVEN LIFE SCIENCES LTD (IN) | 2019-01-09 | — | — | EP | disclosed |