Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3181529 | 0.88 | CA2 (0.56) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL3181537 | 0.88 | CA2 (0.56) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL3186549 | 0.85 | CA2 (0.56) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL3186547 | 0.85 | CA2 (0.56) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL3171704 | 0.83 | ALDH1A1 (0.47) | CA2CYP3A4TSHRATMTDP1 | |
| SCHEMBL541933 | 0.80 | CYP3A4 (0.53) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL31495897 | 0.78 | CA2 (0.45) | CA2CA1TSHRATMALDH1A1 | |
| SCHEMBL1080693 | 0.76 | CYP3A4 (0.49) | CA2CA1CYP3A4TSHRATM | |
| SCHEMBL1079718 | 0.76 | CYP3A4 (0.49) | CA2CYP3A4TSHRATMTDP1 | |
| SCHEMBL14354723 | 0.76 | CA2 (0.59) | CA2CA1CYP3A4TSHRATM |
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-101547886-A | Novel derivative of cyclic compound and use thereof | WONKISOPHARM CO LTD (KR) | 2009-09-30 | — | — | CN | claimed |
| CN-103800313-A | Novel derivatives of cyclic compound and the use thereof | WONKISOPHARM CO LTD | 2014-05-21 | — | — | CN | disclosed |
| CN-101547886-B | pharmaceutical composition and cosmetic composition | WONKISOPHARM CO LTD | 2013-08-21 | — | — | CN | disclosed |
| CN-101547886-A | Novel derivative of cyclic compound and use thereof | WONKISOPHARM CO LTD (KR) | 2009-09-30 | — | — | CN | disclosed |