Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 2/20 | 0.51 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | LDHB | P07195 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16333438 | 0.87 | PPARG (0.52) | PDE2APPARGPPARACTSSCTSK | |
| SCHEMBL17776397 | 0.87 | PPARG (0.46) | PDE2APPARGPPARACTSSCTSK | |
| SCHEMBL2833637 | 0.87 | PPARG (0.52) | PDE2APPARGPPARACTSSCTSK | |
| SCHEMBL17723343 | 0.86 | CTSS (0.47) | CTSSCTSKS1PR3CYP3A4MAPT | |
| SCHEMBL27813793 | 0.86 | CTSS (0.47) | CTSSCTSKS1PR3CYP3A4MAPT | |
| SCHEMBL18305550 | 0.85 | RXFP1 (0.46) | CTSSCTSKS1PR3GABRB1GABRB2 | |
| SCHEMBL2582580 | 0.84 | CTSS (0.48) | CTSSCTSKS1PR3MAPT | |
| SCHEMBL14254331 | 0.84 | CTSS (0.48) | PDE2APPARGPPARACTSSCTSK | |
| SCHEMBL1554126 | 0.84 | CTSS (0.48) | CTSSCTSKS1PR3MAPT | |
| SCHEMBL1554122 | 0.84 | CTSS (0.48) | CTSSCTSKS1PR3MAPT |
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-9469637-B2 | Nitrogenated heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-10-18 | — | — | US | disclosed |
| US-20150105373-A1 | NITROGENATED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-04-16 | — | — | 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-20150105373-A1 | NITROGENATED HETEROCYCLIC COMPOUND | PDE2A, PDE5A, PDE3A | PDE2A 1/4885PPARG 1437/4885PPARA 1415/4885 |
“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.