Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 1/20 | 0.40 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.40 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 2/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | ARG1 | P05089 | 1/20 | 0.37 |
| ▸ | ARG2 | P78540 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL856657 | 0.89 | GNAI3 (0.50) | GNAI3GNAO1GNAI1HRH2HRH1 | |
| SCHEMBL13634452 | 0.88 | ROCK2 (0.37) | ARG1ARG2ROCK2ROCK1 | |
| SCHEMBL24913115 | 0.88 | GNAI3 (0.46) | GNAI3GNAO1GNAI1HRH2HRH1 | |
| Hydrochloric Acid SCHEMBL856924 | 0.88 | GNAI3 (0.53) | GNAI3GNAO1GNAI1HRH2HRH1 | |
| Hydrochloric Acid SCHEMBL25327051 | 0.86 | ROCK2 (0.36) | GNAI3GNAO1GNAI1ROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL25327058 | 0.86 | ROCK2 (0.36) | GNAI3GNAO1GNAI1ROCK2ROCK1 | |
| SCHEMBL9974271 | 0.81 | ARG1 (0.35) | ARG1ARG2HRH3NOS3NOS1 | |
| SCHEMBL17149321 | 0.81 | PIK3CD (0.45) | GNAI3GNAO1GNAI1HRH2HRH1 | |
| SCHEMBL16625962 | 0.81 | ARG1 (0.35) | ARG1ARG2HRH3NOS3NOS1 | |
| SCHEMBL19069226 | 0.81 | PIK3CD (0.45) | GNAI3GNAO1GNAI1HRH2HRH1 |
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-10738026-B2 | Isoquinoline derivatives and use thereof | PURDUE PHARMA L.P. (US) | 2020-08-11 | — | — | US | disclosed |
| US-20170057942-A1 | ISOQUINOLINE DERIVATIVES AND USE THEREOF | PURDUE PHARMA L.P. | 2017-03-02 | — | — | 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 (2 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-10738026-B2 | Isoquinoline derivatives and use thereof | KCNQ3, KCNQ5, KCNQ4 | GNAI3 386/4885GNAO1 453/4885GNAI1 501/4885 |
| US-20170057942-A1 | ISOQUINOLINE DERIVATIVES AND USE THEREOF | KCNQ3, KCNQ5, KCNQ4 | GNAI3 386/4885GNAO1 453/4885GNAI1 501/4885 |
“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.