Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 3/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | GPR3 | P46089 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL24313612 | 0.87 | L3MBTL1 (0.47) | L3MBTL1GRM7GPR3 | |
| SCHEMBL6199816 | 0.86 | FFAR4 (0.39) | PPARAPPARDFFAR1FFAR4F2 | |
| SCHEMBL13545909 | 0.81 | PPARA (0.59) | PPARAPPARDFFAR1FFAR4PPARG | |
| SCHEMBL14850370 | 0.80 | PPARA (0.44) | PPARAPPARDFFAR1FFAR4THRA | |
| SCHEMBL14028966 | 0.79 | PTGDR2 (0.51) | PPARAPPARDTHRATHRBL3MBTL1 | |
| SCHEMBL3342089 | 0.79 | F2 (0.52) | THRATHRBF2PLAUST14 | |
| SCHEMBL13205115 | 0.79 | F2 (0.52) | THRATHRBF2PLAUST14 | |
| SCHEMBL28819979 | 0.79 | F2 (0.52) | THRATHRBF2PLAUST14 | |
| SCHEMBL6417045 | 0.78 | GPR3 (0.42) | GRM7GPR3 | |
| SCHEMBL17354117 | 0.77 | PPARA (0.41) | PPARAPPARDFFAR1FFAR4THRA |
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-9505718-B2 | 3-piperidone compounds and their use as neurokinin-1 (NK1) receptor antagonists | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2016-11-29 | — | — | US | disclosed |
| US-20160031817-A1 | 3-PIPERIDONE COMPOUNDS AND THEIR USE AS NEUROKININ-1 (NK1) RECEPTOR ANTAGONISTS | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2016-02-04 | — | — | 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-20160031817-A1 | 3-PIPERIDONE COMPOUNDS AND THEIR USE AS NEUROKININ-1 (NK1) RECEPTOR ANTAGONISTS | TACR1, NPSR1, TACR2 | PPARA 2358/4885PPARD 2617/4885FFAR1 1022/4885 |
“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.