Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 7/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | STAT6 | P42226 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18506483 | 0.87 | PKM (0.33) | PKMNLRP3CYP19A1ALDH1A1CYP3A4 | |
| SCHEMBL18501590 | 0.85 | PKM (0.36) | PKMNLRP3CYP19A1ALDH1A1CYP3A4 | |
| SCHEMBL17214386 | 0.79 | PKM (0.33) | PKMNLRP3CYP19A1ALDH1A1CYP3A4 | |
| SCHEMBL18506553 | 0.74 | PKM (0.34) | PKMNLRP3CYP19A1ALDH1A1CYP3A4 | |
| SCHEMBL18501588 | 0.71 | PKM (0.34) | PKMNLRP3CYP19A1ALDH1A1CYP3A4 | |
| SCHEMBL18501589 | 0.70 | PKM (0.33) | PKMNLRP3CYP19A1ALDH1A1CYP3A4 | |
| SCHEMBL18506481 | 0.68 | PKM (0.38) | PKMNLRP3CYP19A1ALDH1A1CYP3A4 | |
| SCHEMBL17214372 | 0.67 | PKM (0.36) | PKMNLRP3CYP19A1ALDH1A1CYP3A4 | |
| SCHEMBL18501593 | 0.67 | PKM (0.33) | PKMNLRP3ALDH1A1CYP3A4LMNA | |
| SCHEMBL18506479 | 0.66 | PKM (0.39) | PKMNLRP3CYP19A1ALDH1A1CYP3A4 |
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-9670226-B2 | Sesquiterpenoids | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2017-06-06 | — | — | US | disclosed |
| US-20170044180-A1 | Sesquiterpenoids | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2017-02-16 | — | — | 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-20170044180-A1 | Sesquiterpenoids | NFKBIA, RELA, IKBKG | PKM 3075/4885NLRP3 192/4885CYP19A1 784/4885 |
“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.