Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 9/20 | 0.46 |
| ▸ | ATRIP | Q8WXE1 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30762505 | 0.80 | L3MBTL1 (0.50) | ATRATRIPALDH1A1KDM4EHIF1A | |
| SCHEMBL30762525 | 0.79 | ATR (0.47) | ATRATRIPALDH1A1KDM4EGAA | |
| SCHEMBL30762409 | 0.77 | ALDH1A1 (0.54) | ALDH1A1KDM4ETSHRGBA1GAA | |
| SCHEMBL30762483 | 0.76 | SHMT2 (0.49) | ALDH1A1KDM4EHIF1APIK3C2BPKM | |
| SCHEMBL30762588 | 0.76 | KDM4E (0.53) | ALDH1A1KDM4ETSHRGBA1PKM | |
| SCHEMBL30784185 | 0.74 | AKT1 (0.41) | ALDH1A1KDM4EHIF1APIK3C2BMAPT | |
| SCHEMBL23299953 | 0.73 | KMT2A (0.56) | ALDH1A1KDM4ETSHRNPC1GAA | |
| SCHEMBL30784025 | 0.73 | KMT2A (0.45) | ALDH1A1KDM4ETSHRPIK3C2BGAA | |
| SCHEMBL30783705 | 0.73 | AKT1 (0.43) | ALDH1A1KDM4EHIF1APIK3C2BGLA | |
| SCHEMBL30783809 | 0.72 | SMN1; SMN2 (0.48) | ALDH1A1KDM4ETSHRGBA1GAA |
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-2024026423-A1 | SUBSTITUTED QUINOLINE DERIVATIVES AS PI3K INHIBITORS | BLACK DIAMOND THERAPEUTICS, INC. (US) | 2024-02-01 | — | — | WO | disclosed |