Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.52 |
| ▸ | MET | P08581 | 4/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA6 | P23280 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28070030 | 0.88 | ESR1 (0.48) | ESR1ESR2METCA12CA1 | |
| SCHEMBL437438 | 0.80 | IDO1 (0.50) | ESR1ESR2CA2KMT2A | |
| SCHEMBL12764315 | 0.79 | TAAR1 (0.45) | CA12CA1CA4CA9CA2 | |
| SCHEMBL2094074 | 0.79 | TAAR1 (0.45) | KDM4EALDH1A1TAAR1L3MBTL1MAOB | |
| SCHEMBL5544633 | 0.79 | GFER (0.52) | METALDH1A1TDP1NPC1RAB9A | |
| SCHEMBL11009805 | 0.79 | CYP2A6 (0.45) | CA1CA9CA2ALDH1A1TAAR1 | |
| SCHEMBL6781314 | 0.79 | ESR1 (0.52) | ESR1ESR2METCA12CA1 | |
| SCHEMBL11349144 | 0.79 | CA12 (0.31) | METCA12CA1CA4CA6 | |
| SCHEMBL5544723 | 0.79 | CYP3A4 (0.39) | — | |
| SCHEMBL2096497 | 0.79 | TAAR1 (0.45) | HTR3ATAAR1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-102939097-B | Novel synergistic pharmaceutical composition for topical application | BHARAT BIOTECH INTERNATIONAL LTD. (IN) | 2016-05-11 | — | — | CN | disclosed |
| EP-1530467-A2 | COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | Warner-Lambert Company LLC (US) | 2005-05-18 | — | — | EP | disclosed |
| WO-2004006912-A2 | COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |