Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL2873881 | 0.83 | P2RX3 (0.42) | CYP1A2KLKB1MRGPRX4CYP2C9CYP2C19 | |
| SCHEMBL2638065 | 0.83 | KLKB1 (0.42) | MCL1KLKB1ALDH1A1KDM4ECYP2C9 | |
| SCHEMBL2880398 | 0.81 | MCL1 (0.46) | MCL1KLKB1KMT2AALDH1A1KDM4E | |
| SCHEMBL1660196 | 0.80 | PTGS1 (0.45) | KLKB1KMT2AALDH1A1KDM4ELMNA | |
| SCHEMBL2638952 | 0.80 | MAPT (0.50) | CYP1A2MAPTGAARECQLMRGPRX4 | |
| SCHEMBL2873902 | 0.80 | HAO1 (0.50) | KLKB1AKR1C3 | |
| SCHEMBL2866370 | 0.80 | KLKB1 (0.40) | KLKB1AKR1C3 | |
| SCHEMBL1661912 | 0.80 | KLKB1 (0.42) | MAPTKLKB1CYP2C9CYP2C19LMNA | |
| SCHEMBL1660164 | 0.80 | KLKB1 (0.44) | GAAKLKB1KMT2AALDH1A1KDM4E | |
| SCHEMBL1661148 | 0.79 | MGLL (0.39) | KLKB1MRGPRX4AKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2307394-B1 | SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST | AMOREPACIFIC CORP (KR) | 2012-09-26 | — | — | EP | disclosed |
| WO-2010002209-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2010-01-07 | — | — | WO | disclosed |