Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 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 | |
|---|---|---|---|---|
| SCHEMBL22856455 | 0.99 | CYP3A4 (0.50) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL1296436 | 0.96 | CYP3A4 (0.53) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL1297549 | 0.95 | CYP3A4 (0.47) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL1296920 | 0.92 | EPHX2 (0.47) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL1325393 | 0.92 | CYP3A4 (0.52) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL1296931 | 0.91 | EPHX2 (0.40) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL1297617 | 0.91 | EPHX2 (0.47) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL1296852 | 0.91 | EPHX2 (0.47) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL1297031 | 0.91 | EPHX2 (0.47) | CYP3A4TSHRTDP1ATMPRSS1 | |
| SCHEMBL1297410 | 0.91 | EPHX2 (0.47) | CYP3A4TSHRTDP1ATMPRSS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220185989-A1 | CYCLOHEXANE DICARBOXYLATE MIXED ESTER COMPOSITIONS USEFUL AS PLASTICIZERS | EASTMAN CHEMICAL COMPANY (US) | 2022-06-16 | — | — | US | disclosed |
| WO-2020263595-A1 | CYCLOHEXANE DICARBOXYLATE MIXED ESTER COMPOSITIONS USEFUL AS PLASTICIZERS | EASTMAN CHEMICAL COMPANY (US) | 2020-12-30 | — | — | WO | disclosed |