Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 8/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.34 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.34 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14673256 | 0.85 | BID (0.48) | AKR1C3 | |
| SCHEMBL5863276 | 0.81 | AKR1C3 (0.50) | AKR1C3APEX1LTB4RLTB4R2CYP2C9 | |
| SCHEMBL5863271 | 0.81 | AKR1C3 (0.50) | AKR1C3APEX1LTB4RLTB4R2CYP2C9 | |
| SCHEMBL5485410 | 0.79 | AKR1C3 (0.55) | AKR1C3APEX1CYP2C9 | |
| SCHEMBL8746671 | 0.75 | AKR1C3 (0.68) | AKR1C3APEX1CYP2C9 | |
| SCHEMBL3893886 | 0.75 | AKR1C3 (0.68) | AKR1C3APEX1CYP2C9 | |
| SCHEMBL31666241 | 0.75 | AKR1C3 (0.68) | AKR1C3APEX1CYP2C9 | |
| SCHEMBL6686182 | 0.74 | LMNA (0.44) | — | |
| SCHEMBL2120927 | 0.74 | AKR1C3 (0.49) | AKR1C3APEX1PTGER4PTGER3PTGER2 | |
| SCHEMBL3402801 | 0.71 | CYP1A2 (0.58) | AKR1C3APEX1CYP2C9 |
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-1861358-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006101321-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2006-09-28 | — | — | WO | disclosed |