Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | MC5R | P33032 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | CLK3 | P49761 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL10135548 | 0.83 | CYP19A1 (0.48) | CYP19A1HDAC3HDAC1HDAC2ROCK1 | |
| SCHEMBL31349743 | 0.81 | CYP19A1 (0.51) | CYP19A1HDAC3HDAC1HDAC2TBXAS1 | |
| SCHEMBL6114451 | 0.81 | CYP19A1 (0.51) | CYP19A1HDAC3HDAC1HDAC2TBXAS1 | |
| SCHEMBL763418 | 0.80 | CYP1A2 (0.55) | CYP19A1HDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL7443349 | 0.77 | MC5R (0.62) | HDAC3HDAC1HDAC2ROCK1MC4R | |
| SCHEMBL31414285 | 0.77 | MC5R (0.62) | HDAC3HDAC1HDAC2ROCK1MC4R | |
| SCHEMBL28186657 | 0.77 | CYP19A1 (0.48) | CYP19A1HDAC1ALDH1A1TBXAS1IMPDH2 | |
| Hydrochloric Acid SCHEMBL28594042 | 0.75 | MC5R (0.61) | HDAC3HDAC1HDAC2ROCK1MC4R | |
| SCHEMBL15316184 | 0.75 | HDAC3 (0.43) | CYP19A1HDAC3HDAC1HDAC2BCHE | |
| Isoquinoline SCHEMBL5500814 | 0.75 | CYP1A2 (0.69) | CYP19A1ALDH1A1TBXAS1IMPDH2PDE10A |
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 2996/4885HDAC3 413/4885HDAC1 1159/4885 |
“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.