Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | FDPS | P14324 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL29957305 | 0.88 | CYP19A1 (0.42) | ALDH1A1CYP19A1BCHEACHEMAPT | |
| SCHEMBL29954466 | 0.84 | PNMT (0.44) | ALDH1A1CYP19A1BCHEACHETP53 | |
| SCHEMBL29955518 | 0.84 | EGFR (0.49) | ALDH1A1CYP19A1BCHEACHETP53 | |
| SCHEMBL29953416 | 0.84 | HTR2A (0.48) | ALDH1A1BCHEACHETP53MAPT | |
| SCHEMBL29955878 | 0.83 | ACHE (0.49) | ALDH1A1BCHEACHEMAPT | |
| SCHEMBL1307134 | 0.83 | CA2 (0.48) | ALDH1A1BCHEACHEMAPT | |
| SCHEMBL29950734 | 0.81 | GAA (0.41) | ALDH1A1BCHEACHE | |
| SCHEMBL29954825 | 0.81 | BCHE (0.42) | ALDH1A1CYP19A1BCHEACHETP53 | |
| SCHEMBL29955781 | 0.76 | ALDH1A1 (0.43) | ALDH1A1PTGER1 | |
| SCHEMBL29951413 | 0.75 | EGFR (0.45) | ALDH1A1BCHEACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |