Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | PRMT3 | O60678 | 4/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | MELK | Q14680 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | MC5R | P33032 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10135547 | 0.83 | CYP19A1 (0.48) | CYP19A1KDRIMPDH2ROCK1TBXAS1 | |
| SCHEMBL3144694 | 0.80 | CYP19A1 (0.54) | CYP19A1IMPDH2ROCK1ROCK2MYLK4 | |
| SCHEMBL29860945 | 0.80 | CYP19A1 (0.54) | CYP19A1IMPDH2ROCK1ROCK2MYLK4 | |
| SCHEMBL3128985 | 0.77 | CYP19A1 (0.51) | CYP19A1IMPDH2ROCK1ROCK2MYLK4 | |
| SCHEMBL28186657 | 0.77 | CYP19A1 (0.48) | CYP19A1KDRIMPDH2TBXAS1HDAC1 | |
| SCHEMBL3126133 | 0.74 | CYP19A1 (0.51) | CYP19A1IMPDH2ROCK1ROCK2MYLK4 | |
| SCHEMBL29956130 | 0.74 | CYP19A1 (0.51) | CYP19A1IMPDH2ROCK1ROCK2MYLK4 | |
| SCHEMBL5801109 | 0.73 | CYP19A1 (0.54) | CYP19A1ROCK1ROCK2MYLK4TBXAS1 | |
| SCHEMBL22911613 | 0.73 | CYP19A1 (0.54) | CYP19A1IMPDH2ROCK1ROCK2MYLK4 | |
| SCHEMBL9592639 | 0.73 | CYP19A1 (0.54) | CYP19A1IMPDH2ROCK1ROCK2MYLK4 |
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-8951997-B2 | Substituted isoquinoline derivative | D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) | 2015-02-10 | — | — | US | disclosed |
| US-20120035159-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVE | D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) | 2012-02-09 | — | — | 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-20120035159-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVE | SULT1A1, SULT1E1, SULT2A1 | CYP19A1 2996/4885KDR 4148/4885IMPDH2 702/4885 |
“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.