Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 10/20 | 0.40 |
| ▸ | TACR3 | P29371 | 3/20 | 0.39 |
| ▸ | TACR2 | P21452 | 3/20 | 0.39 |
| ▸ | TACR1 | P25103 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3638284 | 0.94 | ALDH1A1 (0.48) | ALDH1A1KDM4ETSHRCYP1A2CYP3A4 | |
| SCHEMBL3668310 | 0.91 | ENPP2 (0.43) | ALDH1A1KDM4ETSHRMEN1KMT2A | |
| SCHEMBL3637285 | 0.91 | ALDH1A1 (0.52) | ALDH1A1KDM4ETSHRCYP1A2CYP3A4 | |
| SCHEMBL3860793 | 0.89 | PLA2G1B (0.47) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3642568 | 0.89 | TACR3 (0.40) | ALDH1A1KDM4EMEN1KMT2ACCR2 | |
| SCHEMBL3636944 | 0.88 | TACR3 (0.44) | ALDH1A1KDM4EKMT2ACCR2TACR3 | |
| SCHEMBL3856336 | 0.88 | FPR3 (0.43) | ALDH1A1KDM4ETSHRCYP1A2CYP3A4 | |
| SCHEMBL3856952 | 0.88 | NAMPT (0.45) | ALDH1A1KDM4ETSHRCYP1A2CYP3A4 | |
| SCHEMBL3857063 | 0.87 | FPR3 (0.40) | ALDH1A1KDM4ETSHRCYP1A2CYP3A4 | |
| SCHEMBL3639350 | 0.87 | ENPP2 (0.45) | ALDH1A1KDM4ETSHRMEN1KMT2A |
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-7592345-B2 | Piperazine and [1,4]diazepan derivatives as NK antagonists | HOFFMANN-LA ROCHE INC. (US) | 2009-09-22 | — | — | US | disclosed |
| US-20080312216-A1 | PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2008-12-18 | — | — | 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-20080312216-A1 | PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS | DRD3, KCND3, GRIN3A | ALDH1A1 449/4885KDM4E 2657/4885TSHR 743/4885 |
“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.