Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | TACR3 | P29371 | 10/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11917811 | 1.00 | CYP2C9 (0.45) | CYP2C9TACR3ADRA1AHRH1ADRA1B | |
| SCHEMBL7952865 | 0.94 | CYP2C9 (0.47) | CYP2C9TACR3ADRA1AHRH1ADRA1B | |
| SCHEMBL2149459 | 0.94 | CYP2C9 (0.47) | CYP2C9TACR3ADRA1AHRH1ADRA1B | |
| SCHEMBL2149801 | 0.92 | CYP2C9 (0.45) | CYP2C9TACR3ADRA1AHRH1ADRA1B | |
| SCHEMBL2148996 | 0.92 | CYP2C9 (0.45) | CYP2C9TACR3ADRA1AHRH1ADRA1B | |
| SCHEMBL2155303 | 0.90 | CYP2C9 (0.45) | CYP2C9TACR3ADRA1AHRH1ADRA1B | |
| SCHEMBL2154682 | 0.90 | CYP2C9 (0.45) | CYP2C9TACR3ADRA1AHRH1ADRA1B | |
| SCHEMBL2155523 | 0.89 | CYP2C9 (0.43) | CYP2C9TACR3ADRA1AHRH1ADRA1B | |
| SCHEMBL2149205 | 0.89 | CYP2C9 (0.43) | CYP2C9TACR3ADRA1AHRH1ADRA1B | |
| SCHEMBL2831294 | 0.89 | CYP2C9 (0.40) | CYP2C9TACR3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | claimed |
| EP-2342182-B1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2012-11-14 | — | — | EP | disclosed |
| US-8242134-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-08-14 | — | — | US | disclosed |
| US-8242134-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-08-14 | — | — | US | disclosed |
| EP-2342182-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-07-13 | — | — | EP | disclosed |
| US-20100076016-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-25 | — | — | US | disclosed |
| US-20100076016-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-25 | — | — | 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-20100076016-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | KCNQ3, KCNK3, GRIK3 | CYP2C9 3674/4885TACR3 34/4885ADRA1A 742/4885 |
“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.