Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 8/20 | 0.36 |
| ▸ | NOS2 | P35228 | 7/20 | 0.36 |
| ▸ | NOS3 | P29474 | 6/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DDAH1 | O94760 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL26912242 | 0.75 | NOS2 (0.58) | NOS1NOS2NOS3CYP2C19MEN1 | |
| SCHEMBL14164389 | 0.75 | NOS2 (0.58) | NOS1NOS2NOS3CYP2C19MEN1 | |
| SCHEMBL14164388 | 0.75 | NOS2 (0.58) | NOS1NOS2NOS3CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL28356367 | 0.74 | NOS2 (0.56) | NOS1NOS2NOS3CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL28356364 | 0.74 | NOS2 (0.56) | NOS1NOS2NOS3CYP2C19MEN1 | |
| SCHEMBL16446180 | 0.73 | FOLH1 (0.39) | NOS1NOS2NOS3CYP1A2TSHR | |
| SCHEMBL13448062 | 0.73 | FOLH1 (0.39) | NOS1NOS2NOS3CYP1A2TSHR | |
| SCHEMBL16574791 | 0.72 | BLM (0.47) | NOS1NOS2NOS3CYP2C19MEN1 | |
| SCHEMBL29588594 | 0.70 | NOS2 (0.56) | NOS1NOS2NOS3CYP2C19MEN1 | |
| SCHEMBL14031296 | 0.70 | NOS2 (0.56) | NOS1NOS2NOS3CYP2C19MEN1 |
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-2024046929-A1 | A METHOD OF MODIFYING AN ORGANIC CYTOTOXIN FOR USE AS A PAYLOAD IN AN ANTIBODY-DRUG CONJUGATE AND MODIFIED ORGANIC CYTOTOXINS DERIVED THEREFROM | SIMRIS BIOLOGICS GMBH (DE) | 2024-03-07 | — | — | WO | disclosed |