Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.52 |
| ▸ | NPC1 | O15118 | 7/20 | 0.52 |
| ▸ | RAB9A | P51151 | 7/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 SCHEMBL7652746 | 0.99 | SMN1; SMN2 (0.51) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL6916686 | 0.83 | NPC1 (0.52) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| Hydrochloric Acid SCHEMBL6807023 | 0.82 | NPC1 (0.51) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL7656628 | 0.81 | ROCK2 (0.59) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL7654588 | 0.79 | CREBBP (0.47) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL7655491 | 0.79 | MAPT (0.57) | SMN1; SMN2NPC1MAPTMEN1KMT2A | |
| SCHEMBL13202479 | 0.78 | MLLT1 (0.45) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL5874028 | 0.77 | SMN1; SMN2 (0.51) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL307259 | 0.75 | ROCK2 (0.73) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL6293954 | 0.74 | ROCK2 (0.77) | SMN1; SMN2NPC1RAB9AMAPTMEN1 |
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 |