Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5680420 | 0.81 | CYP2D6 (0.63) | CYP2D6CYP1A2CYP3A4PRMT1SLC6A2 | |
| SCHEMBL4092393 | 0.77 | CYP1A2 (0.53) | CYP2D6CYP1A2CYP3A4PRMT1SLC6A2 | |
| SCHEMBL12879664 | 0.76 | CYP2D6 (0.68) | CYP2D6CYP1A2CYP3A4PRMT1SLC6A2 | |
| SCHEMBL7561243 | 0.76 | CYP1A2 (0.57) | CYP2D6CYP1A2CYP3A4PRMT1SLC6A2 | |
| Bromide SCHEMBL20854775 | 0.76 | CYP1A2 (0.57) | CYP2D6CYP1A2CYP3A4PRMT1SLC6A2 | |
| SCHEMBL1654642 | 0.74 | CYP1A2 (1.00) | CYP2D6CYP1A2CYP3A4PRMT1SLC6A2 | |
| SCHEMBL10920937 | 0.74 | CYP2D6 (0.55) | CYP2D6CYP1A2CYP3A4PRMT1SLC6A2 | |
| SCHEMBL11188983 | 0.74 | CYP2D6 (0.66) | CYP2D6CYP1A2CYP3A4PRMT1SLC6A2 | |
| SCHEMBL10136448 | 0.74 | CYP2D6 (0.55) | CYP2D6CYP1A2CYP3A4PRMT1SLC6A2 | |
| SCHEMBL9068194 | 0.74 | CYP3A4 (0.50) | CYP2D6CYP1A2CYP3A4PRMT1SLC6A2 |
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-0416373-A2 | Amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-03-13 | — | — | EP | disclosed |