Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 5/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.32 |
| ▸ | TTPA | P49638 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13979807 | 0.87 | CYP3A4 (0.60) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL3035038 | 0.87 | CYP3A4 (0.60) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL21344344 | 0.85 | PTGS1 (0.38) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL12060987 | 0.82 | PTGS1 (0.40) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL3934598 | 0.82 | PTGS1 (0.36) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL19899579 | 0.82 | MEN1 (0.42) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL11358826 | 0.81 | MEN1 (0.52) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL19899581 | 0.81 | PTGS1 (0.44) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL2141654 | 0.81 | PTGS1 (0.35) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL11358821 | 0.81 | MEN1 (0.52) | PTGS1PTGS2CYP1A2CYP3A4TSHR |
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-9994541-B2 | Nitroalkene trolox derivatives and methods of use thereof in the treatment and prevention of inflammation related conditions | FACULTAD DE QUÍMICA, UNIVERSIDAD DE LA REPÚBLICA, URUGUAY (UY) | 2018-06-12 | — | — | US | disclosed |
| US-20180057475-A1 | Nitroalkene Trolox Derivatives and Methods of Use Thereof In The Treatment And Prevention of Inflammation Related Conditions | INSTITUT PASTEUR DE MONTEVIDEO (UY) | 2018-03-01 | — | — | 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-20180057475-A1 | Nitroalkene Trolox Derivatives and Methods of Use Thereof In The Treatment And Prevention of Inflammation Related Conditions | TXN2, TXN, MMP8 | PTGS1 37/4885PTGS2 35/4885CYP1A2 331/4885 |
“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.