Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28024911 | 0.86 | GPR119 (0.40) | OPRL1NR1H2HTR1DHTR1BCYP3A4 | |
| SCHEMBL28839896 | 0.85 | NR1H2 (0.34) | NR1H2HTR1DHTR1BCYP3A4CYP2C9 | |
| SCHEMBL27948292 | 0.84 | SLC9A1 (0.48) | CYP3A4CYP2C9SLC9A1CYP2C19KCNH2 | |
| SCHEMBL30021635 | 0.81 | MAPT (0.51) | NR1H2MAPTMEN1ALDH1A1THRB | |
| SCHEMBL1159547 | 0.81 | MAPT (0.51) | NR1H2MAPTMEN1ALDH1A1THRB | |
| SCHEMBL27682015 | 0.81 | RIPK1 (0.39) | CRBN | |
| SCHEMBL27318172 | 0.80 | SLC18A3 (0.44) | CYP3A4CYP2C9CRBN | |
| SCHEMBL28053666 | 0.79 | HTR1D (0.63) | HTR1DHTR1BCYP3A4CYP2C9MAPT | |
| SCHEMBL27944975 | 0.78 | MAPT (0.52) | NR1H2RAD52MAPTMEN1ALDH1A1 | |
| SCHEMBL27915293 | 0.78 | TRPC6 (0.36) | TRPC6TRPV1SSTR4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105829315-B | Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors | 阿尔麦克探索有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-105829315-A | Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors | 阿尔麦克探索有限公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-104837835-A | VEGFR3 inhibitors | CANCER THERAPEUTICS CRC PTY LTD | 2015-08-12 | — | — | CN | disclosed |