Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE9A | O76083 | 2/20 | 0.48 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL4296187 | 1.00 | PDE9A (0.48) | PDE9APDE1CMEN1KMT2AALDH1A1 | |
| SCHEMBL4295752 | 0.90 | MEN1 (0.42) | PDE9APDE1CMEN1KMT2AALDH1A1 | |
| SCHEMBL4290620 | 0.88 | PDE9A (0.45) | PDE9APDE1CMEN1KMT2AALDH1A1 | |
| SCHEMBL4290740 | 0.88 | MEN1 (0.42) | PDE9APDE1CMEN1KMT2AALDH1A1 | |
| SCHEMBL4769038 | 0.81 | MEN1 (0.44) | MEN1KMT2AALDH1A1HPGDKDM4E | |
| SCHEMBL4288221 | 0.80 | HPGD (0.37) | PDE9APDE1CKMT2AALDH1A1HPGD | |
| SCHEMBL4776971 | 0.80 | MEN1 (0.46) | MEN1KMT2AALDH1A1HPGDKDM4E | |
| SCHEMBL4775804 | 0.79 | MEN1 (0.46) | MEN1KMT2AALDH1A1HPGDKDM4E | |
| SCHEMBL4774152 | 0.78 | PARP1 (0.38) | PDE9APDE1CALDH1A1HPGDKDM4E | |
| SCHEMBL4290696 | 0.78 | ALDH1A1 (0.38) | PDE9APDE1CMEN1KMT2AALDH1A1 |
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-2061470-A2 | HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES | Neurogen Corporation (US) | 2009-05-27 | — | — | EP | claimed |
| WO-2008024433-A2 | HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES | NEUROGEN CORPORATION (US) | 2008-02-28 | — | — | WO | claimed |
| 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 |