Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | FASN | P49327 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL13621615 | 0.86 | ALDH1A1 (0.41) | ALDH1A1MAOACYP2A6CYP2A13ALDH3A1 | |
| SCHEMBL13621756 | 0.82 | ALDH1A1 (0.45) | ALDH1A1CYP2A6CYP2A13MAPTLMNA | |
| SCHEMBL29952559 | 0.81 | MAOA (0.43) | ALDH1A1MAOAGAAMAPTLMNA | |
| SCHEMBL2555022 | 0.80 | CYP2A6 (0.48) | ALDH1A1CYP2A6CYP2A13GAAALDH3A1 | |
| SCHEMBL29953800 | 0.80 | MAPT (0.40) | ALDH1A1MAOAGAAMAPTUSP2 | |
| SCHEMBL29951768 | 0.79 | MAOA (0.39) | ALDH1A1MAOAGAAMAPTLMNA | |
| SCHEMBL29954750 | 0.78 | HPGD (0.40) | ALDH1A1MAOAGAAMAPTLMNA | |
| SCHEMBL29957049 | 0.78 | ALDH1A1 (0.47) | ALDH1A1MAOACYP2A6CYP2A13GAA | |
| SCHEMBL2555212 | 0.77 | CYP2A6 (0.44) | ALDH1A1CYP2A6CYP2A13GAAALDH3A1 | |
| SCHEMBL29956007 | 0.76 | MAOA (0.49) | MAOAGAAKMT2A |
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 |