Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | BRAF | P15056 | 10/20 | 0.46 |
| ▸ | RAF1 | P04049 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HTR1D | P28221 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7660377 | 0.87 | MAPT (0.52) | MAPTTP53THRBSMN1; SMN2BRAF | |
| SCHEMBL7661476 | 0.85 | MAPT (0.48) | MAPTTP53THRBSMN1; SMN2BRAF | |
| SCHEMBL7658503 | 0.84 | MAPT (0.47) | MAPTTP53THRBSMN1; SMN2BRAF | |
| SCHEMBL7657978 | 0.83 | MAPT (0.45) | MAPTTP53THRBSMN1; SMN2BRAF | |
| SCHEMBL7653743 | 0.82 | MAPT (0.47) | MAPTTP53THRBSMN1; SMN2BRAF | |
| SCHEMBL7655655 | 0.81 | ROCK2 (0.47) | MAPTTP53THRBSMN1; SMN2BRAF | |
| SCHEMBL7012602 | 0.80 | MAPT (0.49) | MAPTTP53THRBSMN1; SMN2BRAF | |
| SCHEMBL6293655 | 0.80 | ROCK2 (0.61) | MAPTTP53THRBSMN1; SMN2BRAF | |
| Hydrochloric Acid SCHEMBL7014137 | 0.80 | MAPT (0.49) | MAPTTP53THRBSMN1; SMN2BRAF | |
| SCHEMBL7661456 | 0.79 | RORC (0.47) | MAPTTP53SMN1; SMN2NPC1RAB9A |
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 |