Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HRH1 | P35367 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | KLF10 | Q13118 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11085629 | 0.82 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL28795114 | 0.82 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL7957002 | 0.76 | HPGD (0.42) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL4480102 | 0.75 | SLC6A2 (0.53) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL2675592 | 0.75 | CHRM1 (0.39) | SLC6A4TSHRCYP2D6KMT2ACHRM1 | |
| SCHEMBL9707206 | 0.73 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 | |
| SCHEMBL7704413 | 0.72 | KMT2A (0.42) | TSHRCYP3A4CYP2D6KMT2ALMNA | |
| SCHEMBL7306869 | 0.72 | KMT2A (0.42) | TSHRCYP3A4CYP2D6KMT2ALMNA | |
| SCHEMBL188510 | 0.72 | KMT2A (0.42) | TSHRCYP3A4CYP2D6KMT2ALMNA | |
| SCHEMBL555424 | 0.72 | KMT2A (0.46) | SLC6A2SLC6A4SLC6A3TSHRCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001055117-A1 | NOVEL ISOQUINOLINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LES LABORATOIRES SERVIER (FR) | 2001-08-02 | — | — | WO | disclosed |