Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | NPY1R | P25929 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16566321 | 0.83 | GRIN1 (0.62) | KMT2AOPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL1660644 | 0.81 | OPRM1 (0.61) | KMT2AOPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL13959718 | 0.81 | TAAR1 (0.44) | OPRM1OPRD1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL6584414 | 0.80 | CYP4F2 (0.51) | CYP4F2CYP4A11 | |
| SCHEMBL20789956 | 0.80 | HRH3 (0.55) | KMT2AALDH1A1TSHRHPGDKDM4E | |
| SCHEMBL13959465 | 0.78 | TAAR1 (0.44) | OPRM1OPRD1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL6831189 | 0.78 | OPRM1 (0.61) | KMT2AOPRM1OPRD1OPRK1OPRL1 | |
| Hydrochloric Acid SCHEMBL8611782 | 0.78 | KMT2A (0.42) | KMT2ATP53CYP3A4OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL9057167 | 0.78 | POLB (0.65) | KMT2AOPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL19291541 | 0.77 | TP53 (0.46) | KMT2ATP53CYP3A4ALDH1A1TSHR |
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 |