Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | BRAF | P15056 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 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 | |
|---|---|---|---|---|
| SCHEMBL5753205 | 0.79 | ABCG2 (0.55) | CYP1A2CYP3A4CYP2C19MAPK1CLK4 | |
| SCHEMBL5753689 | 0.73 | DPP4 (0.56) | CYP1A2CYP3A4CYP2C19MAPK1CLK4 | |
| SCHEMBL5754227 | 0.68 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C19MAPK1CLK4 | |
| Hydrochloric Acid SCHEMBL8807827 | 0.68 | EGFR (0.67) | EGFRJAK3KDREPHB4ABCG2 | |
| SCHEMBL3618779 | 0.68 | ADORA2A (0.59) | TSHRALOX5MAPTPIK3CAPIK3CG | |
| SCHEMBL4783853 | 0.67 | FLT3 (0.59) | EGFRKDR | |
| SCHEMBL1105354 | 0.67 | FLT3 (0.59) | EGFRKDR | |
| Hydrochloric Acid SCHEMBL8901193 | 0.67 | NPY5R (0.75) | MAPK1LMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL5749673 | 0.66 | MAPK1 (0.47) | CYP1A2CYP3A4CYP2C19MAPK1CLK4 | |
| SCHEMBL12291102 | 0.66 | HTR2C (0.53) | CYP1A2CYP3A4CYP2C19CLK4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1651619-A1 | SUBSTITUTED PYRIMIDIN-4-YLAMIN ANALOGUES AS VANILLOID RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2006-05-03 | — | — | EP | claimed |
| WO-2005009977-A1 | SUBSTITUTED PYRIMIDIN-4-YLAMINA ANALOGUES AS VANILLOID RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2005-02-03 | — | — | WO | claimed |
| EP-1651619-A1 | SUBSTITUTED PYRIMIDIN-4-YLAMIN ANALOGUES AS VANILLOID RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005009977-A1 | SUBSTITUTED PYRIMIDIN-4-YLAMINA ANALOGUES AS VANILLOID RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2005-02-03 | — | — | WO | disclosed |