Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | FABP3 | P05413 | 1/20 | 0.46 |
| ▸ | FABP4 | P15090 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.44 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.44 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27816822 | 0.81 | IKBKB (0.49) | KDM4EALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL9915503 | 0.77 | TP53 (0.39) | CYP1A2KDM4EPTPN11ALDH1A1SMN1; SMN2 | |
| SCHEMBL17040094 | 0.76 | HDAC1 (0.46) | KDM4EPTPN11CNR2ALDH1A1SMN1; SMN2 | |
| SCHEMBL92482 | 0.76 | CNR2 (0.64) | CYP1A2CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL10750541 | 0.76 | PTPN11 (0.64) | CYP1A2CYP19A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL15190365 | 0.75 | SCN9A (0.46) | CYP2C9KDM4EALDH1A1POLB | |
| SCHEMBL16748705 | 0.74 | TP53 (0.37) | KDM4EPTPN11CNR2ALDH1A1SMN1; SMN2 | |
| SCHEMBL17931473 | 0.74 | TOP2A (0.52) | CYP1A2CYP19A1CYP2C9CYP2C19FABP3 | |
| SCHEMBL7744187 | 0.74 | HDAC1 (0.49) | ENPP1ENPP3ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL9915358 | 0.73 | S1PR3 (0.37) | KDM4EPTPN11ALDH1A1SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102137851-B | Compound as vanilloid receptor antagonist, isomer thereof or pharmaceutically acceptable salt thereof, and pharmaceutical composition comprising same | AMOREPACIFIC CORP | 2014-08-27 | — | — | CN | disclosed |
| EP-2307394-B1 | SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST | AMOREPACIFIC CORP (KR) | 2012-09-26 | — | — | EP | disclosed |
| CN-102137851-A | Novel compounds as vanilloid receptor antagonists, isomers thereof or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same | AMOREPACIFIC CORP | 2011-07-27 | — | — | CN | 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 |