Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25604465 | 0.78 | TDP1 (0.31) | — | |
| SCHEMBL5207275 | 0.78 | POLB (0.35) | ALDH1A1MEN1KMT2AHTTPOLB | |
| SCHEMBL2757598 | 0.68 | RAB9A (0.33) | ALDH1A1MEN1KMT2AHTTMAPT | |
| SCHEMBL11297530 | 0.67 | CYP3A4 (0.39) | ALDH1A1MEN1KMT2AHTTPOLB | |
| SCHEMBL22477702 | 0.66 | TRPA1 (0.35) | — | |
| SCHEMBL25658735 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL5209342 | 0.64 | L3MBTL1 (0.41) | ALDH1A1MEN1KMT2AMAPTKDM4E | |
| SCHEMBL18512527 | 0.63 | DCTPP1 (0.33) | MEN1KMT2APOLBCYP2C19CYP1A2 | |
| SCHEMBL11324106 | 0.62 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2APOLBMAPT | |
| SCHEMBL25658739 | 0.62 | CASR (0.35) | NR1I2EGFRADRA2AADORA3TBXA2R |
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-1802590-A1 | SUBSTITUTED N-ALKYLPYRIMIDINONES | Pharmacia & Upjohn Company LLC (US) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006040666-A1 | SUBSTITUTED N-ALKYLPYRIMIDINONES | PHARMACIA & UPJOHN COMPANY LLC (US) | 2006-04-20 | — | — | WO | disclosed |