Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2946706 | 0.89 | CA1 (0.46) | HDAC1HDAC6PRKCICA1CA2 | |
| SCHEMBL29388181 | 0.85 | HDAC1 (0.61) | HDAC1HDAC6PRKCICA1CA2 | |
| SCHEMBL478933 | 0.85 | HDAC1 (0.61) | HDAC1HDAC6PRKCICA1CA2 | |
| SCHEMBL29659932 | 0.78 | PRKCI (0.52) | PRKCICA1CA2CA9CREBBP | |
| SCHEMBL1854564 | 0.78 | PRKCI (0.52) | PRKCICA1CA2CA9CREBBP | |
| SCHEMBL22982377 | 0.76 | CA5A (0.46) | PRKCICA1CA2CA9CREBBP | |
| SCHEMBL3777767 | 0.76 | HDAC1 (0.57) | HDAC1HDAC6PRKCICREBBPMAPT | |
| Hydrochloric Acid SCHEMBL31570673 | 0.73 | HDAC1 (0.46) | HDAC1HDAC6PRKCICREBBPHDAC2 | |
| SCHEMBL16042892 | 0.73 | CA1 (0.47) | HDAC1HDAC6CA1CA2CA3 | |
| SCHEMBL16064373 | 0.73 | TPMT (0.54) | HDAC1HDAC6CA1CA2CA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007142426-A1 | NOVEL COMPOUNDS, ISOMER THEREOF OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2007-12-13 | — | — | WO | disclosed |
| EP-1861357-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006101318-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2006-09-28 | — | — | WO | disclosed |