Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.70 |
| ▸ | CYP26A1 | O43174 | 5/20 | 0.59 |
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28733981 | 1.00 | CYP19A1 (0.70) | CYP19A1CYP26A1HTR1ASIGMAR1MAOB | |
| SCHEMBL29679563 | 1.00 | CYP19A1 (0.70) | CYP19A1CYP26A1HTR1ASIGMAR1MAOB | |
| SCHEMBL31112261 | 1.00 | CYP19A1 (0.70) | CYP19A1CYP26A1HTR1ASIGMAR1MAOB | |
| SCHEMBL30275056 | 0.89 | CYP19A1 (0.80) | CYP19A1CYP26A1HTR1ASIGMAR1MAOB | |
| SCHEMBL3761876 | 0.89 | CYP19A1 (0.80) | CYP19A1CYP26A1HTR1ASIGMAR1MAOB | |
| SCHEMBL28733987 | 0.89 | CYP19A1 (0.80) | CYP19A1CYP26A1HTR1ASIGMAR1MAOB | |
| SCHEMBL7247938 | 0.85 | CYP19A1 (0.70) | CYP19A1CYP26A1HTR1ASIGMAR1ALDH1A1 | |
| SCHEMBL31112302 | 0.85 | CYP19A1 (0.70) | CYP19A1CYP26A1HTR1ASIGMAR1ALDH1A1 | |
| SCHEMBL7249261 | 0.85 | CYP19A1 (0.70) | CYP19A1CYP26A1HTR1ASIGMAR1ALDH1A1 | |
| SCHEMBL7249249 | 0.85 | CYP19A1 (0.61) | CYP19A1CYP26A1HTR1ASIGMAR1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112694449-B | Asymmetric hydrogenation of ketone and alpha, beta-unsaturated ketone catalyzed by nonmetal catalyst | 中国科学院化学研究所 | 2022-05-24 | — | — | CN | disclosed |
| CN-112694449-A | Novel nonmetal catalyst for catalyzing asymmetric hydrogenation of ketone and alpha, beta-unsaturated ketone | 中国科学院化学研究所 | 2021-04-23 | — | — | CN | disclosed |
| US-20030191279-A1 | Urea derivatives useful as anticancer agents | GOLDSTEIN STEVEN WAYNE (US) | 2003-10-09 | — | — | 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-20030191279-A1 | Urea derivatives useful as anticancer agents | CCNA1, CCNE1, CCND1 | CYP19A1 2314/4885CYP26A1 2627/4885HTR1A 4175/4885 |
“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.