Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6005218 | 0.83 | ALDH1A1 (0.54) | ALDH1A1CYP2C9CYP2C19CYP1A2ACP3 | |
| SCHEMBL30692103 | 0.79 | CYP1A2 (0.50) | ALDH1A1CYP2C9CYP2C19CYP1A2CYP2A6 | |
| SCHEMBL6405535 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP2C19CYP1A2NR4A1 | |
| SCHEMBL7424379 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP2C19CYP1A2ACP3 | |
| SCHEMBL845776 | 0.79 | ALDH1A1 (0.61) | ALDH1A1CYP2C9CYP2C19CYP1A2ACP3 | |
| SCHEMBL615615 | 0.79 | CYP1A2 (0.50) | ALDH1A1CYP2C9CYP2C19CYP1A2CYP2A6 | |
| SCHEMBL9258574 | 0.78 | ALDH1A1 (0.54) | ALDH1A1CYP2C9CYP2C19CYP1A2ACP3 | |
| SCHEMBL1515712 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CYP2C9CYP2C19CYP1A2NR4A1 | |
| SCHEMBL29098166 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CYP2C9CYP2C19CYP1A2ACP3 | |
| SCHEMBL24258027 | 0.75 | CYP2C19 (0.46) | ALDH1A1CYP2C9CYP2C19CYP1A2ACP3 |
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 |