Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 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 | |
|---|---|---|---|---|
| SCHEMBL2652276 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2C9POLBMEN1 | |
| Water SCHEMBL29955616 | 0.98 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C9POLBMEN1 | |
| SCHEMBL29958192 | 0.81 | HTR3A (0.34) | ALDH1A1CYP1A2 | |
| SCHEMBL29950985 | 0.78 | CYP1A2 (0.62) | ALDH1A1CYP1A2MEN1KMT2ANCF1 | |
| SCHEMBL1134896 | 0.76 | METAP2 (0.52) | ALDH1A1CYP1A2CYP2C9POLBMEN1 | |
| SCHEMBL29391332 | 0.76 | METAP2 (0.52) | ALDH1A1CYP1A2CYP2C9POLBMEN1 | |
| SCHEMBL826491 | 0.75 | CYP1A2 (0.57) | ALDH1A1CYP1A2CYP2C9POLBKMT2A | |
| SCHEMBL11249229 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C9POLBMEN1 | |
| SCHEMBL29957508 | 0.75 | ADORA2A (0.40) | KMT2A | |
| SCHEMBL29096715 | 0.74 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9POLBMEN1 |
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 |