Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 12/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29629115 | 1.00 | GRM5 (0.52) | GRM5CYP1B1TYRCASP3CA12 | |
| SCHEMBL9478240 | 0.85 | GRM5 (0.55) | GRM5TYRCASP3 | |
| SCHEMBL3729290 | 0.84 | GRM5 (0.54) | GRM5TYRCASP3 | |
| SCHEMBL14338959 | 0.81 | RPS6KA2 (0.53) | GRM5CYP1B1TYRCASP3CA12 | |
| SCHEMBL6076008 | 0.81 | GRM5 (0.62) | GRM5CASP3CA12CA1CA2 | |
| SCHEMBL18669095 | 0.81 | RPS6KA2 (0.53) | GRM5CYP1B1TYRCASP3 | |
| SCHEMBL11081773 | 0.81 | MAPT (0.58) | GRM5TYRCASP3CA12CA1 | |
| SCHEMBL6095022 | 0.80 | TYR (0.64) | GRM5CYP1B1TYRCASP3CA12 | |
| SCHEMBL5957957 | 0.78 | TP53 (0.58) | GRM5CASP3 | |
| SCHEMBL8311470 | 0.78 | ALDH1A1 (0.52) | GRM5CASP3CA12CA1CA2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114621135-A | LPA1 small molecule antagonist | 上海拓界生物医药科技有限公司 | 2022-06-14 | — | — | CN | disclosed |
| US-8889676-B2 | 3-ureidoisoquinolin-8-yl derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2014-11-18 | — | — | US | disclosed |
| EP-2552893-B1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2014-10-29 | — | — | EP | disclosed |
| US-20140038961-A1 | 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2014-02-06 | — | — | US | disclosed |
| EP-2691373-A1 | 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2014-02-05 | — | — | EP | disclosed |
| US-20130096119-A1 | Isoquinolin-3-Ylurea Derivatives | BUR DANIEL (CH) | 2013-04-18 | — | — | US | disclosed |
| EP-2552893-A1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2013-02-06 | — | — | EP | disclosed |
| WO-2012131588-A1 | 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-10-04 | — | — | WO | disclosed |
| WO-2011121555-A1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2011-10-06 | — | — | WO | 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-20130096119-A1 | Isoquinolin-3-Ylurea Derivatives | CLIC1, IRF3, KCNH3 | GRM5 4793/4885CYP1B1 407/4885TYR 1220/4885 |
| US-20140038961-A1 | 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES | CBR3, CBR1, REL | GRM5 4478/4885CYP1B1 497/4885TYR 431/4885 |
“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.