Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | USP7 | Q93009 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4772467 | 0.85 | MAT2A (0.40) | CNR1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL4531050 | 0.85 | SMN1; SMN2 (0.42) | MAPK1NPSR1HSD17B10CNR1ALDH1A1 | |
| SCHEMBL4768907 | 0.83 | SMN1; SMN2 (0.34) | HSD17B10ALDH1A1KDM4ESMN1; SMN2HKDC1 | |
| SCHEMBL4357095 | 0.80 | MAT2A (0.38) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL4776782 | 0.80 | CDK1 (0.33) | HSD17B10SMN1; SMN2HKDC1PDE4APDE4B | |
| SCHEMBL4522632 | 0.77 | HKDC1 (0.39) | MAPK1CNR1ALDH1A1KDM4EUSP7 | |
| SCHEMBL4774078 | 0.77 | MEN1 (0.38) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL4518958 | 0.76 | SMN1; SMN2 (0.43) | MAPK1HSD17B10ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL4532511 | 0.76 | CNR1 (0.45) | NPSR1HSD17B10CNR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL4772408 | 0.75 | TRPV4 (0.33) | MAPK1ALDH1A1SMN1; SMN2HKDC1NPC1 |
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-1881988-A1 | 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) | MERCK SHARP & DOHME LTD. (GB) | 2008-01-30 | — | — | EP | disclosed |
| WO-2006122200-A1 | 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) | MERCK SHARP & DOHME LIMITED (GB) | 2006-11-16 | — | — | WO | disclosed |