Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19632965 | 1.00 | CYP1A2 (0.59) | CYP1A2CYP2A6TDP1TRPM4MAPT | |
| SCHEMBL30640506 | 1.00 | CYP1A2 (0.59) | CYP1A2CYP2A6TDP1TRPM4MAPT | |
| SCHEMBL3186823 | 0.79 | CYP1A2 (0.59) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 | |
| SCHEMBL17728164 | 0.78 | CYP1A2 (0.43) | CYP1A2CYP2A6TDP1TRPM4MAPT | |
| SCHEMBL16636625 | 0.78 | NQO2 (0.59) | CYP1A2CYP2A6TRPM4MAPTALDH1A1 | |
| SCHEMBL29892459 | 0.78 | NQO2 (0.59) | CYP1A2CYP2A6TRPM4MAPTALDH1A1 | |
| SCHEMBL31176579 | 0.78 | CYP1A2 (0.43) | CYP1A2CYP2A6TDP1TRPM4MAPT | |
| SCHEMBL29955210 | 0.78 | CYP1A2 (0.43) | CYP1A2CYP2A6TDP1TRPM4MAPT | |
| SCHEMBL368234 | 0.77 | TRPM4 (0.54) | CYP1A2CYP2A6TDP1TRPM4MAPT | |
| SCHEMBL38654678 | 0.77 | CYP2A6 (0.41) | CYP1A2CYP2A6TRPM4MAPTALDH1A1 |
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 |