Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 10/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | PRKCG | P05129 | 1/20 | 0.37 |
| ▸ | PRKCB | P05771 | 1/20 | 0.37 |
| ▸ | PRKCA | P17252 | 1/20 | 0.37 |
| ▸ | PRKCH | P24723 | 1/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.37 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.37 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.37 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.37 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.36 |
| ▸ | PDE9A | O76083 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11067679 | 0.87 | CACNA2D1 (0.38) | CACNA2D1CYP3A4CYP2D6NFKB1PRKD3 | |
| SCHEMBL11061015 | 0.75 | CACNA2D1 (0.38) | CACNA2D1CYP3A4CYP2D6NFKB1PRKD3 | |
| SCHEMBL11067483 | 0.73 | CACNA2D1 (0.38) | CACNA2D1ROCK2ROCK1PDE9A | |
| SCHEMBL21917569 | 0.66 | CACNA2D1 (0.50) | CACNA2D1CYP3A4CYP2D6 | |
| SCHEMBL11068306 | 0.65 | ADRB2 (0.44) | CACNA2D1ROCK2ROCK1 | |
| SCHEMBL11482581 | 0.63 | CA2 (0.47) | — | |
| SCHEMBL18356037 | 0.63 | KCNA3 (0.50) | CACNA2D1CYP3A4CYP2D6NFKB1PRKD3 | |
| SCHEMBL14862987 | 0.62 | KCNA3 (0.47) | CACNA2D1CYP3A4CYP2D6NFKB1PRKD3 | |
| SCHEMBL10025295 | 0.62 | GRIN1 (0.48) | CACNA2D1CYP3A4CYP2D6NFKB1PRKD3 | |
| SCHEMBL13395495 | 0.61 | CYP2A6 (0.42) | CYP3A4 |
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-0064294-A1 | 1,5-Substituted isoquinoline derivatives | G.D. Searle & Co. (US) | 1982-11-10 | — | — | EP | claimed |