Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 4/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | F12 | P00748 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31498832 | 0.77 | TRPA1 (0.60) | TRPA1DRD1FFAR1CYP2A6F12 | |
| SCHEMBL6110247 | 0.77 | TRPA1 (0.60) | TRPA1DRD1FFAR1CYP2A6F12 | |
| SCHEMBL5968524 | 0.74 | TRPV1 (0.59) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3875440 | 0.73 | KDR (0.42) | NCF1MAPTMAPK1EGFRALDH1A1 | |
| SCHEMBL3876878 | 0.72 | EGFR (0.38) | LMNAMAPTCYP3A4MAPK1EGFR | |
| SCHEMBL3875328 | 0.72 | NPC1 (0.39) | CYP2A6LMNAMAPTMAPK1EGFR | |
| SCHEMBL7790214 | 0.72 | HAO1 (0.47) | CYP2A6LMNAMAPTNPC1RAB9A | |
| SCHEMBL191210 | 0.71 | NPC1 (0.61) | MAPK1NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL1093339 | 0.71 | TRPA1 (0.54) | TRPA1DRD1FFAR1CYP2A6F12 | |
| SCHEMBL26697193 | 0.69 | ALDH1A1 (0.39) | LMNAMAPTMAPK1NPC1ALDH1A1 |
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-1720868-A1 | PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN | AMGEN INC. (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005077944-A1 | PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN | AMGEN INC. (US) | 2005-08-25 | — | — | WO | disclosed |