Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 14/20 | 0.47 |
| ▸ | RAF1 | P04049 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 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 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7662250 | 0.99 | BRAF (0.46) | BRAFRAF1MAPTTP53THRB | |
| SCHEMBL7654954 | 0.93 | MAPT (0.48) | BRAFRAF1MAPTTP53THRB | |
| Hydrochloric Acid SCHEMBL7651474 | 0.92 | MAPT (0.47) | BRAFRAF1MAPTTP53THRB | |
| SCHEMBL7651710 | 0.90 | MAPT (0.44) | BRAFRAF1MAPTTP53THRB | |
| SCHEMBL7656801 | 0.90 | BRAF (0.44) | BRAFRAF1MAPTTP53THRB | |
| SCHEMBL7659513 | 0.88 | BRAF (0.43) | BRAFRAF1MAPTTP53THRB | |
| SCHEMBL7979562 | 0.87 | MAPT (0.50) | BRAFRAF1MAPTTP53THRB | |
| SCHEMBL7653690 | 0.79 | MAPT (0.56) | MAPTTP53SMN1; SMN2KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL7653757 | 0.78 | MAPT (0.55) | MAPTTP53SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL7761568 | 0.78 | NPC1 (0.38) | MAPTTP53THRBSMN1; SMN2MEN1 |
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 2 patents. 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 | claimed |
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |