Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 2/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.33 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.32 |
| ▸ | BCL2 | P10415 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| SCHEMBL31729097 | 0.83 | PARP1 (0.38) | HTTSRCPARP1KMT2AHPGD | |
| SCHEMBL31728348 | 0.74 | PDPK1 (0.40) | HTTSRCPARP1KMT2AHPGD | |
| SCHEMBL31728914 | 0.71 | PDE5A (0.44) | SRCKMT2APIM1PIM3CDC7 | |
| SCHEMBL31727841 | 0.71 | AURKA (0.35) | KMT2AHPGDCHEK1 | |
| SCHEMBL31728873 | 0.70 | PARP1 (0.49) | SRCPARP1HPGDPIM1PIM3 | |
| SCHEMBL26967271 | 0.69 | HPGD (0.35) | HTTPARP1KMT2AHPGDSIRT5 | |
| SCHEMBL31729151 | 0.69 | HTT (0.38) | HTTPARP1KMT2AHPGDPIM1 | |
| SCHEMBL15845883 | 0.69 | KMT2A (0.44) | HTTSRCPARP1KMT2AHPGD | |
| SCHEMBL4061814 | 0.69 | PARP1 (0.44) | SRCPARP1KMT2APKMSIRT5 | |
| SCHEMBL29875029 | 0.69 | PARP1 (0.47) | HTTPARP1HPGDSIRT5PIM1 |
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 |