Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | HTR1D | P28221 | 3/20 | 0.50 |
| ▸ | HTR1B | P28222 | 3/20 | 0.50 |
| ▸ | HTR2A | P28223 | 3/20 | 0.50 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | RARA | P10276 | 2/20 | 0.41 |
| ▸ | RARB | P10826 | 2/20 | 0.41 |
| ▸ | RARG | P13631 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7991313 | 0.88 | L3MBTL3 (0.45) | SMN1; SMN2HTR1DHTR1BHTR2AL3MBTL3 | |
| SCHEMBL7658686 | 0.87 | KMT2A (0.53) | NPC1RAB9ASMN1; SMN2HTR1DHTR1B | |
| SCHEMBL7649761 | 0.86 | MAPT (0.46) | NPC1RAB9ASMN1; SMN2HTR1DHTR1B | |
| SCHEMBL7979073 | 0.84 | MAPT (0.61) | NPC1SMN1; SMN2MEN1CYP3A4KMT2A | |
| SCHEMBL6806905 | 0.83 | RAB9A (0.47) | NPC1RAB9ASMN1; SMN2HTR1DHTR1B | |
| Hydrochloric Acid SCHEMBL6805952 | 0.82 | RAB9A (0.46) | NPC1RAB9ASMN1; SMN2HTR1DHTR1B | |
| SCHEMBL6298395 | 0.82 | HTR1D (0.56) | NPC1RAB9ASMN1; SMN2HTR1DHTR1B | |
| SCHEMBL7653759 | 0.79 | ROCK2 (0.42) | NPC1RAB9AL3MBTL3MEN1CYP26A1 | |
| SCHEMBL7652728 | 0.79 | L3MBTL3 (0.41) | NPC1RAB9AL3MBTL3MEN1CYP26A1 | |
| SCHEMBL7652773 | 0.78 | ROCK2 (0.49) | NPC1RAB9ASMN1; SMN2HTR1DHTR1B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | claimed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | claimed |
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | disclosed |