Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL4772661 | 0.88 | ALDH1A1 (0.44) | ALDH1A1HPGDKDM4EPKMPARP1 | |
| SCHEMBL4290696 | 0.85 | ALDH1A1 (0.38) | ALDH1A1HPGDKDM4EPKMPARP1 | |
| SCHEMBL4776139 | 0.84 | ALDH1A1 (0.41) | ALDH1A1HPGDKDM4EPKMPARP1 | |
| SCHEMBL4768853 | 0.84 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4EPKMPARP1 | |
| SCHEMBL4774287 | 0.83 | ALDH1A1 (0.41) | ALDH1A1HPGDKDM4EPKMPARP1 | |
| SCHEMBL5769296 | 0.80 | ALDH1A1 (0.42) | ALDH1A1HPGDKDM4EPKMTDP1 | |
| SCHEMBL5769313 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EPKMTDP1 | |
| SCHEMBL4774324 | 0.78 | ALDH1A1 (0.39) | ALDH1A1HPGDKDM4EPKMTDP1 | |
| SCHEMBL4776924 | 0.78 | HPGD (0.47) | ALDH1A1HPGDKDM4EPKMTDP1 | |
| SCHEMBL4768887 | 0.77 | ALDH1A1 (0.40) | ALDH1A1HPGDKDM4EPKMTDP1 |
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 |