Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.40 |
| ▸ | HTR1D | P28221 | 2/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3230533 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL29956926 | 0.84 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL17429436 | 0.84 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL29957228 | 0.83 | CYP2A6 (0.51) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL6859382 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL29951874 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL29954454 | 0.83 | HTR1A (0.51) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL2535287 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL29957270 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT | |
| SCHEMBL29957435 | 0.83 | CYP2A6 (0.55) | ALDH1A1CYP1A2CYP2C19KDM4EMAPT |
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 |