Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | MPO | P05164 | 9/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1399484 | 0.94 | PTGS1 (0.45) | PTGS1PTGS2MPOHTR2ATRPM8 | |
| SCHEMBL1399496 | 0.92 | IDO1 (0.44) | PTGS1PTGS2MPOHTR2ATRPM8 | |
| SCHEMBL1399321 | 0.90 | PTGS2 (0.48) | PTGS1PTGS2MPOHTR2ATRPM8 | |
| SCHEMBL1399228 | 0.90 | MPO (0.45) | PTGS1PTGS2MPOHTR2ATRPM8 | |
| SCHEMBL1399401 | 0.85 | IDO1 (0.44) | PTGS1PTGS2MPOHTR2ATRPM8 | |
| SCHEMBL1399263 | 0.82 | PTGS2 (0.45) | PTGS1PTGS2MPOHTR2ASLC6A4 | |
| SCHEMBL4382124 | 0.78 | PTGS1 (0.41) | PTGS1PTGS2HTR2AKMT2ASLC6A4 | |
| SCHEMBL1399334 | 0.77 | KIF11 (0.43) | PTGS1PTGS2MPOHTR2AKMT2A | |
| SCHEMBL4385750 | 0.76 | MPO (0.49) | PTGS1PTGS2MPOHTR2AHTR1A | |
| SCHEMBL1399328 | 0.76 | MAPT (0.45) | MPOHTR2ATRPM8HTR1AKMT2A |
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 |