Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TYMP | P19971 | 2/20 | 0.38 |
| ▸ | MAP2 | P11137 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29088482 | 0.87 | HTT (0.40) | HTTLMNACYP1A2MAPTALDH1A1 | |
| SCHEMBL6472472 | 0.87 | HTT (0.40) | HTTLMNACYP1A2MAPTALDH1A1 | |
| SCHEMBL29088481 | 0.85 | HTT (0.39) | HTTLMNACYP1A2MAPTALDH1A1 | |
| SCHEMBL9844862 | 0.83 | HTT (0.37) | HTTLMNACYP1A2MAPTALDH1A1 | |
| SCHEMBL29097481 | 0.82 | HTT (0.40) | HTTLMNACYP1A2MAPTALDH1A1 | |
| SCHEMBL26218812 | 0.81 | CYP2A6 (0.48) | CYP1A2ALDH1A1CYP2A6ENPP1HPGD | |
| SCHEMBL7711087 | 0.77 | ALDH1A1 (0.50) | HTTLMNACYP1A2MAPTALDH1A1 | |
| SCHEMBL9486338 | 0.77 | LMNA (0.50) | HTTLMNACYP1A2MAPTALDH1A1 | |
| SCHEMBL1179753 | 0.77 | ALDH1A1 (0.50) | HTTLMNACYP1A2MAPTALDH1A1 | |
| SCHEMBL15655133 | 0.77 | LMNA (0.50) | HTTLMNACYP1A2MAPTALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023161168-A1 | AROMATIC HETREOCYCLES FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2023-08-31 | — | — | WO | disclosed |
| WO-2023161167-A1 | NITROGENOUS HETEROCYCLES FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2023-08-31 | — | — | WO | disclosed |