Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 20/20 | 0.91 |
| ▸ | HTR2A | P28223 | 17/20 | 0.91 |
| ▸ | HTR2B | P41595 | 15/20 | 0.91 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.91 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.63 |
| ▸ | HTR6 | P50406 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | GMNN | O75496 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | THPO | P40225 | 1/20 | 0.61 |
| ▸ | BLM | P54132 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL7082946 | 0.95 | HTR2C (1.00) | HTR2CHTR2AHTR2BCYP1A2CYP2C9 | |
| SCHEMBL7112081 | 0.86 | HTR2C (0.82) | HTR2CHTR2AHTR2BCYP1A2CYP2C9 | |
| SCHEMBL7379147 | 0.85 | HTR2C (0.66) | HTR2CHTR2AHTR2BCYP1A2 | |
| SCHEMBL7105805 | 0.85 | HTR2C (0.80) | HTR2CHTR2AHTR2BCYP1A2CYP2C9 | |
| SCHEMBL7078894 | 0.84 | HTR2C (1.00) | HTR2CHTR2AHTR2BCYP1A2CYP2C9 | |
| SCHEMBL7084100 | 0.84 | HTR2C (0.78) | HTR2CHTR2AHTR2BCYP1A2CYP2C9 | |
| SCHEMBL7039444 | 0.83 | HTR2C (1.00) | HTR2CHTR2AHTR2BCYP1A2CYP2C9 | |
| SCHEMBL7379418 | 0.80 | HTR2C (0.91) | HTR2CHTR2AHTR2BCYP1A2CYP2C9 | |
| SCHEMBL7082693 | 0.80 | HTR2C (0.75) | HTR2CHTR2AHTR2BCYP1A2CYP2C9 | |
| SCHEMBL7082972 | 0.80 | HTR2C (0.72) | HTR2CHTR2AHTR2BCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996023783-A1 | INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST | SMITHKLINE BEECHAM PLC (GB) | 1996-08-08 | — | — | WO | disclosed |