Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 7/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2465626 | 1.00 | CYP2A13 (0.65) | CYP2A13CYP2C9ALOX15HSD17B10CYP3A4 | |
| Hydrochloric Acid SCHEMBL29951393 | 0.98 | CYP2A13 (0.63) | CYP2A13CYP2C9ALOX15HSD17B10CYP3A4 | |
| SCHEMBL2561882 | 0.94 | CYP2A13 (0.58) | CYP2A13CYP2C9ALOX15HSD17B10CYP3A4 | |
| SCHEMBL21352377 | 0.84 | ALDH1A1 (0.55) | CYP2A13ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL29504703 | 0.84 | ALDH1A1 (0.55) | CYP2A13ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL28983737 | 0.84 | KDM4E (0.53) | CYP2A13ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL11193326 | 0.83 | CYP2A13 (0.75) | CYP2A13CYP2C9ALOX15HSD17B10CYP3A4 | |
| Hydrochloric Acid SCHEMBL29954918 | 0.82 | ALDH1A1 (0.53) | ALDH1A1KMT2AMEN1KDM4ELMNA | |
| SCHEMBL29952724 | 0.82 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1KDM4ELMNA | |
| SCHEMBL2464403 | 0.82 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1KDM4ELMNA |
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 |