Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 7/20 | 0.51 |
| ▸ | RAB9A | P51151 | 7/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7993309 | 0.91 | ROCK2 (0.52) | ROCK2NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL7659357 | 0.89 | MEN1 (0.56) | ROCK2NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL7652773 | 0.88 | ROCK2 (0.49) | ROCK2NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL7658686 | 0.88 | KMT2A (0.53) | ROCK2NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL7652814 | 0.88 | NAMPT (0.55) | ROCK2NPC1RAB9AKDM4ECYP3A4 | |
| SCHEMBL7662369 | 0.85 | ROCK2 (0.49) | ROCK2NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL7989876 | 0.85 | MAPT (0.47) | ROCK2NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL7660384 | 0.85 | ROCK2 (0.51) | ROCK2NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL7652847 | 0.84 | ROCK2 (0.46) | ROCK2NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL6805046 | 0.83 | NPC1 (0.51) | ROCK2NPC1RAB9ASMN1; SMN2MAPT |
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 |