Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | UNG | P13051 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.37 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 4/20 | 0.36 |
| ▸ | MAOB | P27338 | 4/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27520419 | 0.85 | GABRA1 (0.43) | ALDH1A1MAPK1TDP1UNGCYP3A4 | |
| SCHEMBL27322677 | 0.84 | CYP3A4 (0.43) | ALDH1A1MAPK1TDP1CYP3A4TSHR | |
| SCHEMBL125648 | 0.84 | MAPK1 (0.41) | ALDH1A1MAPK1TDP1CYP3A4TSHR | |
| SCHEMBL3626567 | 0.84 | TDP1 (0.44) | ALDH1A1MAPK1TDP1CYP3A4TSHR | |
| SCHEMBL5127043 | 0.84 | MIF (0.48) | ALDH1A1TDP1UNGCYP3A4CYP2A6 | |
| SCHEMBL30657694 | 0.82 | NFE2L2 (0.46) | ALDH1A1MAPK1TDP1CYP3A4TRPA1 | |
| SCHEMBL10615043 | 0.82 | TDP1 (0.54) | ALDH1A1MAPK1TDP1CYP3A4TSHR | |
| SCHEMBL27873 | 0.82 | TDP1 (0.54) | ALDH1A1MAPK1TDP1CYP3A4TSHR | |
| SCHEMBL28420288 | 0.81 | CYP3A4 (0.41) | ALDH1A1MAPK1TDP1CYP3A4TSHR | |
| SCHEMBL27621561 | 0.80 | TDP1 (0.52) | ALDH1A1MAPK1TDP1CYP3A4TSHR |
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 |