Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28185604 | 0.78 | CES2 (0.43) | CES2CES1MAPTCYP1A2CA1 | |
| SCHEMBL21242007 | 0.77 | KDM1A (0.41) | CES2CES1KDM1ANFE2L2DEGS1 | |
| SCHEMBL4864700 | 0.77 | CES2 (0.39) | CES2CES1KDM1ANFE2L2DEGS1 | |
| SCHEMBL7953691 | 0.77 | CES2 (0.39) | CES2CES1KDM1ANFE2L2DEGS1 | |
| SCHEMBL11107135 | 0.77 | CES2 (0.39) | CES2CES1KDM1ANFE2L2DEGS1 | |
| SCHEMBL22357532 | 0.76 | ALDH1A1 (0.43) | CES2CES1NFE2L2MAPTCYP1A2 | |
| SCHEMBL14050035 | 0.74 | CYP2C19 (0.48) | CES2CES1MAPTCYP1A2HSD17B10 | |
| SCHEMBL29058948 | 0.73 | CES2 (0.48) | CES2CES1KDM1ANFE2L2DEGS1 | |
| SCHEMBL20227851 | 0.72 | DEGS1 (0.47) | CES2CES1KDM1ANFE2L2DEGS1 | |
| SCHEMBL23458237 | 0.72 | KDM1A (0.48) | CES2CES1KDM1ADEGS1MAPT |
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-20090048451-A1 | Synthesis of triazole derivatives from Lewis base mediated nitroalkene-aldehyde coupling | WEST VIRGINIA UNIVERSITY | 2009-02-19 | — | — | 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-20090048451-A1 | Synthesis of triazole derivatives from Lewis base mediated nitroalkene-aldehyde coupling | NOX3, NEU3, ADH5 | CES2 1274/4885CES1 2401/4885KDM1A 2109/4885 |
“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.