Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 6/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.32 |
| ▸ | GUSB | P08236 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL10073904 | 0.92 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL19127218 | 0.81 | EPHX1 (0.36) | ALDH1A1EPHX1CYP2C19 | |
| SCHEMBL17351132 | 0.75 | ALDH1A1 (0.41) | ALDH1A1EPHX1GBA1SPHK1GUSB | |
| SCHEMBL11033685 | 0.72 | ALDH1A1 (0.41) | ALDH1A1EPHX1CYP2C19L3MBTL1GBA1 | |
| SCHEMBL669483 | 0.72 | ALOX5 (0.40) | ALDH1A1S1PR3TSHR | |
| SCHEMBL22471680 | 0.71 | ALDH1A1 (0.41) | ALDH1A1EPHX1GBA1S1PR1S1PR3 | |
| Ammonia Solution, Strong SCHEMBL22283017 | 0.70 | ALDH1A1 (0.39) | ALDH1A1EPHX1CYP2C19L3MBTL1GBA1 | |
| SCHEMBL28827339 | 0.69 | ALDH1A1 (0.43) | ALDH1A1EPHX1L3MBTL1GBA1S1PR1 | |
| SCHEMBL11859588 | 0.69 | ALDH1A1 (0.43) | ALDH1A1EPHX1L3MBTL1GBA1S1PR1 | |
| SCHEMBL24111230 | 0.68 | ALDH1A1 (0.35) | ALDH1A1EPHX1CYP2C19SPHK1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120046455-A1 | Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates | NATIONAL SCIENCE FOUNDATION | 2012-02-23 | — | — | 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-20120046455-A1 | Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates | PPOX, POR, PCCA | ALDH1A1 454/4885EPHX1 2216/4885CYP2C19 971/4885 |
“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.