Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 9/20 | 0.57 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | PLG | P00747 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28160919 | 0.82 | CNR2 (0.59) | CNR2CNR1RORCF2F10 | |
| SCHEMBL10228098 | 0.80 | CNR2 (0.51) | CNR2CNR1RORCF2F10 | |
| SCHEMBL6275835 | 0.79 | CNR2 (0.61) | CNR2CNR1CYP1A2TSHR | |
| SCHEMBL4115523 | 0.78 | CNR2 (0.53) | CNR2RORCESR1ESR2CA12 | |
| SCHEMBL3799616 | 0.77 | CNR2 (0.59) | CNR2CNR1RORCCA12CA1 | |
| SCHEMBL8434856 | 0.77 | RORC (0.53) | CNR2RORCF2F10PLG | |
| SCHEMBL1626657 | 0.77 | CNR2 (0.48) | CNR2RORCABCB11CYP1A2CYP3A4 | |
| SCHEMBL28860732 | 0.77 | CNR2 (0.43) | CNR2CNR1RORCF2F10 | |
| SCHEMBL6279399 | 0.76 | CNR2 (0.58) | CNR2CNR1RORCF2F10 | |
| SCHEMBL22992388 | 0.76 | CNR2 (0.48) | CNR2CNR1RORCF2F10 |
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-106928125-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 | 2017-07-07 | — | — | CN | claimed |
| CN-106928125-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 | 2017-07-07 | — | — | CN | disclosed |