Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.33 |
| ▸ | BCL2 | P10415 | 3/20 | 0.33 |
| ▸ | CTSA | P10619 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.30 |
| ▸ | KDR | P35968 | 2/20 | 0.30 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.30 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.30 |
| ▸ | STK10 | O94804 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | CSF1R | P07333 | 1/20 | 0.30 |
| ▸ | RET | P07949 | 1/20 | 0.30 |
| ▸ | HCK | P08631 | 1/20 | 0.30 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.30 |
| ▸ | KIT | P10721 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31729201 | 0.82 | EGFR (0.40) | MCL1BCL2KDRABL1EGFR | |
| SCHEMBL31727897 | 0.79 | LIMK1 (0.36) | MAP4K4LIMK1 | |
| SCHEMBL31728459 | 0.78 | PIK3CD (0.31) | — | |
| SCHEMBL31729235 | 0.76 | P2RX4 (0.37) | CYP2C19CYP3A4KDR | |
| SCHEMBL31728484 | 0.73 | PDE5A (0.46) | CYP2C19PDE5ACYP3A4MAP4K4SRC | |
| SCHEMBL31728253 | 0.71 | PDE5A (0.42) | CTSAPDE5AMAP4K4EGFRLIMK1 | |
| SCHEMBL31728730 | 0.71 | PDE5A (0.36) | MCL1BCL2PDE5AMAP4K4LIMK1 | |
| SCHEMBL31729241 | 0.67 | IDO1 (0.36) | MCL1BCL2MAP4K4LIMK1 | |
| SCHEMBL31728800 | 0.66 | CRHR1 (0.39) | PDE5AKDRMAP4K4ABL1EGFR | |
| SCHEMBL31728623 | 0.65 | SMN1; SMN2 (0.39) | PDE5AMAP4K4RETLIMK1 |
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 |