Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 5/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.51 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.48 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL8188782 | 0.89 | ACHE (0.64) | ROCK2CYP3A4ACHEKCNK3KCNK9 | |
| SCHEMBL7853556 | 0.87 | ROCK2 (0.56) | ROCK2CYP3A4ACHEABCB1ABCG2 | |
| SCHEMBL8183644 | 0.84 | ROCK2 (0.52) | ROCK2CYP3A4ACHEABCB1ABCG2 | |
| SCHEMBL6719914 | 0.82 | NPC1 (0.69) | ABCB1ABCG2NPC1RAB9A | |
| SCHEMBL7852024 | 0.81 | NPC1 (0.52) | ROCK2CYP3A4ACHENPC1RAB9A | |
| SCHEMBL7851707 | 0.81 | ROCK2 (0.52) | ROCK2CYP3A4ACHENPC1RAB9A | |
| SCHEMBL7849354 | 0.81 | NPC1 (0.50) | ROCK2CYP3A4ACHEABCB1ABCG2 | |
| SCHEMBL6293737 | 0.81 | ACHE (0.51) | ROCK2CYP3A4ACHENPC1RAB9A | |
| SCHEMBL8184565 | 0.81 | KMT2A (0.58) | ROCK2CYP3A4NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL7792070 | 0.80 | NPC1 (0.59) | ROCK2CYP3A4NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20010016657-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. | 2001-08-23 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20010016657-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | INA, GRIN2C, GRIN2A | ROCK2 2314/4885CYP3A4 168/4885ACHE 378/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.