Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7656812 | 0.87 | CYP26A1 (0.38) | ALDH1A1SMN1; SMN2NPC1RAB9ARORC | |
| SCHEMBL7653578 | 0.86 | RORC (0.47) | ALDH1A1SMN1; SMN2NPC1TP53RAB9A | |
| SCHEMBL7655775 | 0.84 | ROCK2 (0.46) | ALDH1A1SMN1; SMN2NPC1TP53RAB9A | |
| SCHEMBL7655182 | 0.79 | ROCK2 (0.42) | S1PR1S1PR3ROCK2 | |
| Hydrochloric Acid SCHEMBL6293630 | 0.76 | ROCK2 (0.57) | S1PR1ROCK2 | |
| SCHEMBL7658675 | 0.76 | ROCK2 (0.42) | TP53NPY2RS1PR1ROCK2 | |
| SCHEMBL7654514 | 0.76 | MAPT (0.56) | ALDH1A1SMN1; SMN2NPC1TP53MAPT | |
| SCHEMBL7660384 | 0.76 | ROCK2 (0.51) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL7649851 | 0.76 | MAPT (0.49) | SMN1; SMN2TP53MAPTROCK2MEN1 | |
| SCHEMBL7009661 | 0.74 | RORC (0.49) | NPY2RRORCROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |