Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29242490 | 1.00 | EGFR (0.42) | EGFRCYP2C19ABCB11ADRA2ACYP2B6 | |
| SCHEMBL30919864 | 0.79 | GRIN2D (0.50) | CYP2C19ALDH1A1LMNACYP1A2CYP3A4 | |
| SCHEMBL29069673 | 0.77 | ROCK2 (0.41) | CYP2C19ABCB11ADRA2ACYP2B6DRD1 | |
| SCHEMBL30114728 | 0.77 | ROCK2 (0.41) | CYP2C19ABCB11ADRA2ACYP2B6DRD1 | |
| SCHEMBL29069695 | 0.75 | GBA1 (0.37) | CYP2C19ABCB11ADRA2ACYP2B6DRD1 | |
| SCHEMBL30919712 | 0.73 | MAPT (0.44) | EGFRALDH1A1SMN1; SMN2MAPTRPS6KA5 | |
| SCHEMBL1491746 | 0.71 | SMN1; SMN2 (0.71) | CYP1A2CYP3A4CYP2D6SMN1; SMN2MAPT | |
| SCHEMBL14234286 | 0.71 | DRD3 (0.57) | CYP2C19ABCB11ADRA2ACYP2B6DRD1 | |
| Hydrochloric Acid SCHEMBL31130794 | 0.70 | KDM4E (0.58) | CYP2C19ABCB11ADRA2ACYP2B6DRD1 | |
| SCHEMBL1935226 | 0.69 | SMN1; SMN2 (0.49) | ALDH1A1SMN1; SMN2MAPTRPS6KA5RPS6KA4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118221696-A | Pyrimidine heterocyclic compound containing N-methylpiperazine structure, and preparation method and application thereof | 潍坊医学院 | 2024-06-21 | — | — | CN | disclosed |