Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL957123 | 1.00 | ESR1 (0.44) | ESR1L3MBTL1HDAC3HDAC1HDAC2 | |
| SCHEMBL954777 | 0.93 | TRPA1 (0.45) | ESR1NPSR1ALDH1A1MCHR1SMN1; SMN2 | |
| SCHEMBL954776 | 0.93 | TRPA1 (0.45) | ESR1NPSR1ALDH1A1MCHR1SMN1; SMN2 | |
| SCHEMBL953842 | 0.87 | MCHR1 (0.46) | ESR1ALDH1A1MCHR1MAPTCYP1A2 | |
| SCHEMBL953843 | 0.87 | MCHR1 (0.46) | ESR1ALDH1A1MCHR1MAPTCYP1A2 | |
| SCHEMBL954506 | 0.84 | TDO2 (0.43) | ESR1HDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL954504 | 0.84 | TDO2 (0.43) | ESR1HDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL953866 | 0.81 | ALDH1A1 (0.43) | ESR1NPSR1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL953867 | 0.81 | ALDH1A1 (0.43) | ESR1NPSR1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL955440 | 0.79 | ESR1 (0.46) | ESR1ALDH1A1MCHR1PLK1CYP1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2238105-B1 | NOVEL COMPOUNDS AS VANILLOID RECEPTOR ANTAGONISTS | AMOREPACIFIC CORP (KR) | 2014-04-16 | — | — | EP | disclosed |
| US-20140011881-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2014-01-09 | — | — | US | disclosed |
| US-8557872-B2 | Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same | AMOREPACIFIC CORPORATION (KR) | 2013-10-15 | — | — | US | disclosed |
| US-20110015230-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2011-01-20 | — | — | US | disclosed |
| EP-2238105-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009096701-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2009-08-06 | — | — | WO | 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 (2 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-20140011881-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | TRPV1, TRPA1, TRPV2 | ESR1 1780/4885L3MBTL1 3593/4885HDAC3 2893/4885 |
| US-20110015230-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | TRPV1, TRPA1, TRPV2 | ESR1 1780/4885L3MBTL1 3593/4885HDAC3 2893/4885 |
“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.