Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | RHEB | Q15382 | 4/20 | 0.35 |
| ▸ | AHR | P35869 | 4/20 | 0.35 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.35 |
| ▸ | ITGAL | P20701 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR6 | P50406 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1399472 | 0.90 | NPC1 (0.40) | CYP2C9HPGDCYP2C19TAAR1RHEB | |
| SCHEMBL1399439 | 0.80 | SLC6A2 (0.51) | CYP2C9HPGDCYP2C19RHEBITGB2 | |
| SCHEMBL1399317 | 0.73 | TAAR1 (0.39) | TAAR1AHRHTR2CHTR6HTR1D | |
| SCHEMBL1399339 | 0.73 | RHEB (0.57) | TAAR1RHEBAHRHTR2CHTR6 | |
| SCHEMBL28502631 | 0.73 | TAAR1 (0.49) | CYP2C9HPGDCYP2C19TAAR1HTR2C | |
| SCHEMBL4385189 | 0.72 | CYP2C9 (0.51) | CYP2C9HPGDCYP2C19TAAR1HTR2C | |
| SCHEMBL2153441 | 0.72 | TAAR1 (0.54) | CYP2C9HPGDCYP2C19TAAR1HTR2C | |
| SCHEMBL1399226 | 0.70 | SLC6A2 (0.52) | CYP2C9HPGDCYP2C19CYP2D6 | |
| Hydrochloric Acid SCHEMBL4447997 | 0.70 | TAAR1 (0.52) | CYP2C9HPGDCYP2C19TAAR1CYP2A6 | |
| SCHEMBL31475242 | 0.69 | KDR (0.41) | HPGDSMYD3 |
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-1860100-B1 | 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI | LUNDBECK & CO AS H (DK) | 2011-03-02 | — | — | EP | claimed |