Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 4/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | KHK | P50053 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30762386 | 0.84 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL30762583 | 0.76 | CNR1 (0.40) | ALDH1A1 | |
| SCHEMBL30762411 | 0.74 | HTT (0.54) | — | |
| SCHEMBL23110072 | 0.72 | CYP2A6 (0.45) | CYP2A6CHEK1ALDH1A1 | |
| SCHEMBL30762355 | 0.71 | ALDH1A1 (0.39) | ALDH1A1DYRK1A | |
| SCHEMBL30762639 | 0.68 | MAPT (0.41) | ALDH1A1 | |
| SCHEMBL1889103 | 0.67 | HTT (0.46) | CHEK1ALDH1A1 | |
| SCHEMBL27030266 | 0.67 | ACHE (0.41) | PTGESCHEK1ALDH1A1SRCMAOA | |
| SCHEMBL964656 | 0.66 | VCAM1 (0.48) | CYP2A6SRCGPR35MAOAMAOB | |
| SCHEMBL17884009 | 0.66 | AMY1A (0.33) | — |
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 |