Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.53 |
| ▸ | CLK1 | P49759 | 2/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.45 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | HCK | P08631 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31728793 | 0.79 | KDM4E (0.49) | PDE5ACYP1A1CYP1B1KDM4EPOLB | |
| SCHEMBL19877629 | 0.76 | PDE5A (0.61) | PDE5ACLK1MAP4K4LIMK1EGFR | |
| SCHEMBL12068468 | 0.75 | MAP4K4 (0.42) | PDE5ACLK1MAP4K4PI4KBPI4KA | |
| SCHEMBL17873539 | 0.73 | HTT (0.41) | PDE5AKDM4E | |
| SCHEMBL31728028 | 0.70 | MAP4K4 (0.50) | PDE5ACLK1MAP4K4LIMK1FYN | |
| SCHEMBL4388241 | 0.70 | MAP4K4 (0.77) | CLK1MAP4K4PI4KBEGFRPI4KA | |
| SCHEMBL24916289 | 0.69 | NSD2 (0.50) | CYP1A1CYP1B1KDRKDM4E | |
| Hydrochloric Acid SCHEMBL28325270 | 0.69 | MAP4K4 (0.74) | CLK1MAP4K4PI4KBEGFRPI4KA | |
| SCHEMBL22715874 | 0.68 | PDE5A (0.44) | PDE5ACLK1MAP4K4LIMK1FYN | |
| SCHEMBL31728914 | 0.68 | PDE5A (0.44) | PDE5ACLK1MAP4K4LIMK1PI4KB |
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 |