Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 20/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.60 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | HTR2A | P28223 | 2/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL17515222 | 0.90 | HTR6 (0.75) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| SCHEMBL20629395 | 0.83 | HTR6 (0.80) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| SCHEMBL19396332 | 0.77 | KDM4E (0.52) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| SCHEMBL20629075 | 0.76 | HTR6 (0.83) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| SCHEMBL3746686 | 0.75 | ALDH1A1 (0.46) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| Masupirdine SCHEMBL946320 | 0.75 | HTR6 (1.00) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| Masupirdine SCHEMBL29358531 | 0.75 | HTR6 (1.00) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| Masupirdine SCHEMBL29646265 | 0.75 | HTR6 (1.00) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| Masupirdine SCHEMBL20607627 | 0.74 | HTR6 (0.98) | HTR6CYP3A4CYP2D6ADRA2AADRA2C | |
| Masupirdine SCHEMBL31732770 | 0.74 | HTR6 (0.98) | 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 |