Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
| ▸ | BCHE | P06276 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL461295 | 0.98 | GSK3A (0.46) | GSK3AGSK3BCYP1A2CYP2A6MAOA | |
| SCHEMBL29421729 | 0.98 | GSK3A (0.46) | GSK3AGSK3BCYP1A2CYP2A6MAOA | |
| SCHEMBL30579936 | 0.95 | GSK3A (0.43) | GSK3AGSK3BCYP1A2CYP2A6MAOA | |
| SCHEMBL3107446 | 0.95 | GSK3A (0.43) | GSK3AGSK3BCYP1A2CYP2A6MAOA | |
| SCHEMBL3106328 | 0.95 | GSK3A (0.43) | GSK3AGSK3BCYP1A2CYP2A6MAOA | |
| SCHEMBL3102143 | 0.95 | GSK3A (0.43) | GSK3AGSK3BCYP1A2CYP2A6MAOA | |
| Hydrochloric Acid SCHEMBL8917627 | 0.95 | GSK3A (0.43) | GSK3AGSK3BCYP1A2CYP2A6MAOA | |
| SCHEMBL6517663 | 0.91 | GSK3A (0.40) | GSK3AGSK3BCYP1A2CYP2A6MAOA | |
| SCHEMBL1793601 | 0.90 | MAOA (0.41) | GSK3AGSK3BCYP1A2CYP2A6MAOA | |
| SCHEMBL283346 | 0.80 | TRPA1 (0.50) | CYP1A2MAOAMAOBPARP1CA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107129488-A | A kind of Ai Le replaces the preparation method of Buddhist nun | 湖南博奥德生物医药技术开发有限公司 | 2017-09-05 | — | — | CN | claimed |
| CN-107011245-A | A kind of Ai Le replaces the preparation method of Buddhist nun's intermediate | 湖南博奥德生物医药技术开发有限公司 | 2017-08-04 | — | — | CN | claimed |
| CN-106905226-A | A kind of Ai Le replaces the preparation method of Buddhist nun's intermediate | 湖南博奥德生物医药技术开发有限公司 | 2017-06-30 | — | — | CN | claimed |
| CN-105777710-A | Synthesis method of Alectinib | 湖南欧亚生物有限公司 | 2016-07-20 | — | — | CN | claimed |
| CN-106278841-B | A kind of preparation method of 8- methoxyl groups -3,4- dihydro -1H-2- naphthalenones | 浙江永太药业有限公司 | 2018-10-09 | — | — | CN | disclosed |
| CN-107129488-A | A kind of Ai Le replaces the preparation method of Buddhist nun | 湖南博奥德生物医药技术开发有限公司 | 2017-09-05 | — | — | CN | disclosed |
| CN-106278841-A | A kind of preparation method of 8 methoxyl group 3,4 dihydro 1H 2 naphthalenones | 浙江永太药业有限公司 | 2017-01-04 | — | — | CN | disclosed |