Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.47 |
| ▸ | MPO | P05164 | 3/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR1D | P28221 | 2/20 | 0.40 |
| ▸ | HTR1B | P28222 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1399250 | 0.85 | HTR2A (0.62) | HTR2AGPR84MPOTAAR1HTR2C | |
| SCHEMBL1399369 | 0.84 | HTR2A (0.44) | HTR2AMPOTAAR1HTR2CHTR1D | |
| SCHEMBL1399373 | 0.83 | GPR84 (0.49) | HTR2AGPR84HTR6SLC6A2KMT2A | |
| SCHEMBL4633056 | 0.81 | HTR2A (0.45) | HTR2AMPOTAAR1HTR2CHTR1D | |
| SCHEMBL1399149 | 0.79 | HTR2C (0.63) | HTR2AMPOTAAR1HTR2CHTR1D | |
| SCHEMBL1399316 | 0.79 | IDO1 (0.47) | HTR2AGPR84MPOTAAR1HTR2C | |
| SCHEMBL1399370 | 0.79 | HTR2A (0.47) | HTR2AMPOTAAR1HTR2CHTR1D | |
| SCHEMBL1399332 | 0.78 | MPO (0.62) | HTR2AGPR84MPOTAAR1HTR2C | |
| SCHEMBL4632768 | 0.77 | HTR2A (0.47) | HTR2AGPR84MPOTAAR1HTR2C | |
| SCHEMBL1399345 | 0.77 | HTR2A (0.50) | HTR2AMPOTAAR1HTR2CHTR1D |
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 |