Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | GPR3 | P46089 | 1/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.31 |
| ▸ | HTR3B | O95264 | 1/20 | 0.31 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.31 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MYC | P01106 | 1/20 | 0.31 |
| ▸ | MAX | P61244 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2652276 | 0.81 | ALDH1A1 (0.49) | CYP1A2ALDH1A1 | |
| SCHEMBL29955050 | 0.81 | ALDH1A1 (0.49) | CYP1A2ALDH1A1 | |
| Water SCHEMBL29955616 | 0.79 | ALDH1A1 (0.47) | CYP1A2ALDH1A1 | |
| SCHEMBL29955591 | 0.78 | MAOA (0.43) | HTR3AACHEMAOAMAOBCYP1A2 | |
| SCHEMBL5540367 | 0.76 | CYP1A2 (0.44) | CYP1A2BACE1GPR3ALDH1A1ELANE | |
| SCHEMBL4615123 | 0.75 | ACHE (0.48) | ACHECYP1A2BACE1ALDH1A1MYC | |
| SCHEMBL29957508 | 0.75 | ADORA2A (0.40) | — | |
| SCHEMBL27551427 | 0.74 | CYP1A2 (0.42) | CYP1A2BACE1GPR3ALDH1A1ELANE | |
| SCHEMBL3959059 | 0.74 | CYP1A2 (0.42) | CYP1A2BACE1GPR3ALDH1A1ELANE | |
| SCHEMBL4953591 | 0.72 | BACE1 (0.60) | ACHECYP1A2BACE1MYCMAX |
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 |