Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | MPO | P05164 | 6/20 | 0.44 |
| ▸ | HTR2A | P28223 | 4/20 | 0.44 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1399375 | 0.94 | PTGS1 (0.47) | PTGS1PTGS2MPOHTR2ATRPM8 | |
| SCHEMBL1399496 | 0.89 | IDO1 (0.44) | PTGS1PTGS2MPOHTR2ATRPM8 | |
| SCHEMBL1399228 | 0.87 | MPO (0.45) | PTGS1PTGS2MPOHTR2ATRPM8 | |
| SCHEMBL1399321 | 0.85 | PTGS2 (0.48) | PTGS1PTGS2MPOHTR2ATRPM8 | |
| SCHEMBL1399334 | 0.84 | KIF11 (0.43) | PTGS1PTGS2MPOHTR2AKMT2A | |
| SCHEMBL1399401 | 0.82 | IDO1 (0.44) | PTGS1PTGS2MPOHTR2ATRPM8 | |
| SCHEMBL1399263 | 0.77 | PTGS2 (0.45) | PTGS1PTGS2MPOHTR2AKIF11 | |
| SCHEMBL28755677 | 0.77 | PTGS1 (0.46) | PTGS1PTGS2KMT2AKIF11SMN1; SMN2 | |
| SCHEMBL4633098 | 0.75 | HTR2A (0.58) | MPOHTR2ATRPM8KMT2AHTR1A | |
| SCHEMBL4382124 | 0.75 | PTGS1 (0.41) | PTGS1PTGS2HTR2AKMT2AKIF11 |
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 |