Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | HTR1D | P28221 | 3/20 | 0.39 |
| ▸ | HTR1B | P28222 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | RARA | P10276 | 2/20 | 0.35 |
| ▸ | RARB | P10826 | 2/20 | 0.35 |
| ▸ | RARG | P13631 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7659619 | 0.99 | SMN1; SMN2 (0.39) | SMN1; SMN2RAB9ANPC1HTR1DHTR1B | |
| SCHEMBL7655308 | 0.89 | MAPT (0.39) | SMN1; SMN2RAB9ANPC1MAPTALOX15 | |
| SCHEMBL7653690 | 0.86 | MAPT (0.56) | SMN1; SMN2NPC1MAPTALOX15ALOX12 | |
| Hydrochloric Acid SCHEMBL7653757 | 0.85 | MAPT (0.55) | SMN1; SMN2NPC1MAPTALOX15ALOX12 | |
| SCHEMBL7658631 | 0.85 | MAPT (0.45) | SMN1; SMN2NPC1HTR1DHTR1BHTR2A | |
| SCHEMBL7653964 | 0.77 | GAA (0.39) | SMN1; SMN2RAB9ANPC1MAPTHSD17B10 | |
| SCHEMBL7653638 | 0.76 | BRAF (0.47) | SMN1; SMN2HTR1DHTR1BHTR2AMAPT | |
| SCHEMBL7660806 | 0.76 | MAPT (0.55) | SMN1; SMN2RAB9ANPC1MAPTALOX15 | |
| Hydrochloric Acid SCHEMBL7661203 | 0.76 | GAA (0.39) | SMN1; SMN2RAB9ANPC1MAPTHSD17B10 | |
| Hydrochloric Acid SCHEMBL7662250 | 0.75 | BRAF (0.46) | SMN1; SMN2HTR1DHTR1BHTR2AMAPT |
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 |