Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4427069 | 1.00 | CYP3A4 (0.48) | CYP3A4TP53NOTUMGRIN2BALDH1A1 | |
| SCHEMBL19433265 | 0.86 | MAOB (0.44) | CYP3A4TP53GRIN2BALDH1A1MAPT | |
| SCHEMBL1921486 | 0.84 | NOTUM (0.47) | NOTUMGRIN2BMAPTHDAC3HDAC1 | |
| SCHEMBL816372 | 0.84 | MAPT (0.52) | CYP3A4TP53GRIN2BALDH1A1MAPT | |
| SCHEMBL27213513 | 0.84 | MAPT (0.46) | CYP3A4TP53GRIN2BALDH1A1MAPT | |
| SCHEMBL3785598 | 0.79 | CYP3A4 (0.48) | CYP3A4TP53ALDH1A1MAPT | |
| SCHEMBL8462818 | 0.77 | EPAS1 (0.44) | NOTUMHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL30695905 | 0.77 | MAPT (0.41) | CYP3A4TP53GRIN2BALDH1A1MAPT | |
| SCHEMBL17893665 | 0.77 | MAPT (0.41) | CYP3A4TP53GRIN2BALDH1A1MAPT | |
| SCHEMBL14088545 | 0.76 | TP53 (0.44) | CYP3A4TP53ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-119638639-A | Biaryl compound with anti-cell necrotic apoptosis activity, derivative and application thereof | 中国药科大学 | 2025-03-18 | — | — | CN | disclosed |
| CN-117242060-A | Isoindolinone compounds | 蒙特罗萨医疗公司 | 2023-12-15 | — | — | CN | disclosed |
| EP-4121415-A1 | INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES | Univerzita Palackého v Olomouci (CZ) | 2023-01-25 | — | — | EP | disclosed |