Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CHAT | P28329 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28165348 | 0.89 | CYP19A1 (0.49) | CYP19A1MAOAMAOBKDM4EALDH1A1 | |
| SCHEMBL6303896 | 0.82 | CYP19A1 (0.59) | CYP19A1MAOAMAOBKDM4EALDH1A1 | |
| SCHEMBL6303895 | 0.82 | CYP19A1 (0.59) | CYP19A1MAOAMAOBKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL6388866 | 0.81 | CYP19A1 (0.57) | CYP19A1MAOAMAOBKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL6388867 | 0.81 | CYP19A1 (0.57) | CYP19A1MAOAMAOBKDM4EALDH1A1 | |
| SCHEMBL27635492 | 0.80 | CYP19A1 (0.46) | CYP19A1MAOAMAOBEGFRKDM4E | |
| SCHEMBL28312974 | 0.74 | CYP19A1 (0.39) | CYP19A1MAOAMAOBEGFRKDM4E | |
| (Z)-1,2-Diphenylethene SCHEMBL28882092 | 0.72 | RELA (0.54) | CYP19A1MAOAMAOBEGFRTRPA1 | |
| Benzene SCHEMBL27397175 | 0.71 | CYP19A1 (0.46) | CYP19A1MAOAMAOBKDM4EALDH1A1 | |
| Hexane SCHEMBL28005106 | 0.71 | CHAT (0.44) | CYP19A1MAOAMAOBEGFRTRPA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103347858-B | Process and materials for preparing N-substituted pyridinium compounds | 霍夫曼-拉罗奇有限公司 | 2016-09-14 | — | — | CN | disclosed |
| CN-102471272-B | Method and substances for preparation of N-substituted pyridinium compounds | HOFFMANN LA ROCHE | 2014-09-10 | — | — | CN | disclosed |
| CN-103347858-A | Process and materials for preparing N-substituted pyridinium compounds | HOFFMANN LA ROCHE | 2013-10-09 | — | — | CN | disclosed |
| CN-102471272-A | Process and materials for preparing N-substituted pyridinium compounds | HOFFMANN LA ROCHE | 2012-05-23 | — | — | CN | disclosed |