Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CFTR | P13569 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Methyl 2-Methoxybenzoate SCHEMBL29702077 | 0.85 | TSHR (0.69) | SLC6A3SLC6A4TSHRLMNAL3MBTL1 | |
| SCHEMBL2441955 | 0.85 | SLC6A3 (0.65) | SLC6A3SLC6A4TSHRLMNAL3MBTL1 | |
| Methyl 2-Methoxybenzoate SCHEMBL196037 | 0.85 | TSHR (0.69) | SLC6A3SLC6A4TSHRLMNAL3MBTL1 | |
| SCHEMBL28432969 | 0.83 | KMT2A (0.63) | SLC6A3SLC6A4TSHRLMNAL3MBTL1 | |
| Methyl 2-Methoxybenzoate SCHEMBL30744939 | 0.83 | MAPT (0.67) | SLC6A3SLC6A4TSHRLMNAL3MBTL1 | |
| SCHEMBL4199247 | 0.83 | SLC6A3 (0.62) | SLC6A3SLC6A4TSHRLMNAL3MBTL1 | |
| Methyl 2-Methoxybenzoate SCHEMBL21545674 | 0.82 | SLC6A3 (0.57) | SLC6A3SLC6A4TSHRLMNAL3MBTL1 | |
| Dimethyl Phthalate SCHEMBL28198032 | 0.82 | TSHR (0.68) | SLC6A3SLC6A4TSHRLMNAHSD17B10 | |
| Dimethyl Phthalate SCHEMBL29669976 | 0.82 | TSHR (0.74) | SLC6A3SLC6A4TSHRLMNAHSD17B10 | |
| Dimethyl Phthalate SCHEMBL34630 | 0.82 | TSHR (0.74) | SLC6A3SLC6A4TSHRLMNAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107501260-A | A kind of inhibitor venetoclax of Bcl 2 and intermediate preparation method | 郑州大学第附属医院 | 2017-12-22 | — | — | CN | disclosed |
| CN-107235978-A | A kind of preparation method of the intermediates of ABT 199 | 上海泓博智源医药股份有限公司 | 2017-10-10 | — | — | CN | disclosed |