Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | KDM3B | Q7LBC6 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | F7 | P08709 | 1/20 | 0.41 |
| ▸ | F3 | P13726 | 1/20 | 0.41 |
| ▸ | CSNK2A2 | P19784 | 3/20 | 0.41 |
| ▸ | CSNK2B | P67870 | 3/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CDC25A | P30304 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1658942 | 0.82 | ADRA1A (0.52) | KDM4EKDM3BDYRK1AF7F3 | |
| SCHEMBL29799903 | 0.80 | KDM4E (0.41) | KDM4EKDM3BDYRK1AF7F3 | |
| SCHEMBL21713969 | 0.80 | NOTUM (0.54) | KDM4EKDM3BDYRK1ACSNK2A1ALDH1A1 | |
| SCHEMBL11322639 | 0.80 | NOTUM (0.54) | KDM4EKDM3BDYRK1AF7F3 | |
| SCHEMBL2336413 | 0.80 | LCK (0.41) | KDM4EKDM3BDYRK1AALDH1A1ALOX15 | |
| SCHEMBL29857063 | 0.80 | DYRK1A (0.50) | KDM4EKDM3BDYRK1AF7F3 | |
| SCHEMBL23674857 | 0.77 | GABRP (0.40) | KDM4EKDM3BDYRK1ACSNK2A2CSNK2B | |
| SCHEMBL20606051 | 0.76 | ALDH1A1 (0.49) | KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL20606533 | 0.76 | KDM4E (0.38) | KDM4EKDM3BDYRK1AF7F3 | |
| SCHEMBL19817301 | 0.76 | PRKAB2 (0.54) | KDM4EDYRK1AALDH1A1NOTUM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4346815-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Schrödinger, Inc. (US) | 2024-04-10 | — | — | EP | disclosed |
| CN-117715642-A | Heterocyclic compounds and methods of use | 薛定谔公司 | 2024-03-15 | — | — | CN | disclosed |
| WO-2022251497-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHRÖDINGER, INC. (US) | 2022-12-01 | — | — | WO | disclosed |