Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 17/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 17/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 16/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10854396 | 0.88 | SLC6A2 (0.55) | SLC6A2SLC6A3SLC6A4CYP2D6LMNA | |
| SCHEMBL10856587 | 0.74 | SLC6A2 (0.52) | SLC6A2SLC6A3SLC6A4CYP2D6LMNA | |
| SCHEMBL5282267 | 0.72 | SLC6A2 (0.79) | SLC6A2SLC6A3SLC6A4CYP2D6LMNA | |
| SCHEMBL10855182 | 0.70 | SLC6A2 (0.50) | SLC6A2SLC6A3SLC6A4CYP2D6LMNA | |
| SCHEMBL8327753 | 0.69 | CES1 (0.42) | — | |
| SCHEMBL4686468 | 0.68 | SLC6A2 (0.51) | SLC6A2SLC6A3SLC6A4CYP2D6LMNA | |
| SCHEMBL4689826 | 0.68 | SLC6A2 (0.51) | SLC6A2SLC6A3SLC6A4CYP2D6LMNA | |
| SCHEMBL4686469 | 0.68 | SLC6A2 (0.51) | SLC6A2SLC6A3SLC6A4CYP2D6LMNA | |
| SCHEMBL369004 | 0.68 | SLC6A2 (0.44) | SLC6A2SLC6A3SLC6A4CYP2D6LMNA | |
| SCHEMBL10850235 | 0.68 | SLC6A2 (0.53) | SLC6A2SLC6A3SLC6A4CYP2D6LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4564613-A | NERVOUS SYSTEM DISORDERS | TROPONWERKE GMBH & CO. (DE) | 1986-01-14 | — | — | US | disclosed |
| EP-0140070-A1 | Pyridoindole derivatives, process for their preparation and their use | Troponwerke GmbH & Co. KG (DE) | 1985-05-08 | — | — | EP | disclosed |