Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 6/20 | 0.32 |
| ▸ | NOS1 | P29475 | 6/20 | 0.32 |
| ▸ | NOS2 | P35228 | 6/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | STAT3 | P40763 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | G6PD | P11413 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27228919 | 0.82 | ALDH1A1 (0.36) | CYP3A4CYP2C19CYP2D6ALDH1A1TSHR | |
| SCHEMBL3386471 | 0.82 | ALDH1A1 (0.36) | CYP3A4CYP2C19CYP2D6ALDH1A1TSHR | |
| SCHEMBL3386468 | 0.82 | ALDH1A1 (0.36) | CYP3A4CYP2C19CYP2D6ALDH1A1TSHR | |
| SCHEMBL21760775 | 0.79 | CYP2D6 (0.36) | CYP3A4CYP2C19CYP2D6ALDH1A1TSHR | |
| SCHEMBL1133701 | 0.79 | CYP2D6 (0.36) | CYP3A4CYP2C19CYP2D6ALDH1A1TSHR | |
| SCHEMBL1845464 | 0.79 | CYP2D6 (0.36) | CYP3A4CYP2C19CYP2D6ALDH1A1TSHR | |
| SCHEMBL14901300 | 0.79 | CA12 (0.34) | CYP3A4CYP2C19CYP2D6ALDH1A1TSHR | |
| SCHEMBL2065728 | 0.78 | ALDH1A1 (0.37) | CYP3A4CYP2C19CYP2D6ALDH1A1TSHR | |
| SCHEMBL10024024 | 0.78 | ALDH1A1 (0.37) | CYP3A4CYP2C19CYP2D6ALDH1A1TSHR | |
| SCHEMBL9283567 | 0.78 | ALDH1A1 (0.37) | CYP3A4CYP2C19CYP2D6ALDH1A1TSHR |
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-20090286792-A1 | 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | XUE CHU-BIAO | 2009-11-19 | — | — | 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-20090286792-A1 | 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | CCR2, CCR5, CXCR3 | NOS3 952/4885NOS1 1563/4885NOS2 2013/4885 |
“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.