Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX4 | Q99571 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 10/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31728809 | 0.81 | KDR (0.39) | P2RX4KDRALDH1A1GPR84KDM4E | |
| SCHEMBL31728121 | 0.77 | CD274 (0.31) | P2RX4 | |
| SCHEMBL31729201 | 0.77 | EGFR (0.40) | KDRMAPT | |
| SCHEMBL31728942 | 0.76 | MCL1 (0.33) | KDRCYP3A4CYP2C19 | |
| SCHEMBL31728459 | 0.75 | PIK3CD (0.31) | — | |
| SCHEMBL31727897 | 0.71 | LIMK1 (0.36) | ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL31728484 | 0.68 | PDE5A (0.46) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31728634 | 0.67 | PDE4A (0.37) | KDR | |
| SCHEMBL31728253 | 0.67 | PDE5A (0.42) | — | |
| SCHEMBL31728730 | 0.67 | PDE5A (0.36) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025235874-A1 | HETEROCYCLICS AS EGFR INHIBITORS | SCHRÖDINGER, INC. (US) | 2025-11-13 | — | — | WO | disclosed |