Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 2/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.35 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7933440 | 0.75 | BCAT2 (0.44) | ALDH1A1SMN1; SMN2CDC7DBF4GRIA4 | |
| SCHEMBL6271885 | 0.74 | ALDH1A1 (0.45) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2CDC7 | |
| SCHEMBL6277250 | 0.74 | POLB (0.50) | ALDH1A1CYP2C19SMN1; SMN2CDC7DBF4 | |
| SCHEMBL8423076 | 0.73 | BACE1 (0.43) | ALDH1A1PTPRCPTPN2PTPN1SMN1; SMN2 | |
| SCHEMBL27605106 | 0.70 | KMO (0.44) | ALDH1A1PTPN2PTPN1SMN1; SMN2GAA | |
| SCHEMBL4561918 | 0.69 | BCAT2 (0.43) | ALDH1A1CYP2C9SMN1; SMN2CDC7DBF4 | |
| SCHEMBL69825 | 0.68 | GRIA4 (0.50) | ALDH1A1PTPRCPTPN2PTPN1CYP2C9 | |
| SCHEMBL1660355 | 0.67 | KMT2A (0.36) | ALDH1A1PTPN1CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL1659091 | 0.66 | PTPRC (0.45) | PTPRCPTPN2PTPN1DHODHKMT2A | |
| Biphenyl SCHEMBL27893795 | 0.65 | LMNA (0.56) | ALDH1A1PTPN1SMN1; SMN2ABCC4LMNA |
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-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2011-04-13 | — | — | 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 |