Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP14 | P50281 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14625765 | 0.93 | CYP3A4 (0.68) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL146937 | 0.93 | CYP3A4 (0.68) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL10930013 | 0.91 | CYP3A4 (0.66) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL1878882 | 0.91 | CYP3A4 (0.66) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL28146062 | 0.91 | CYP3A4 (0.66) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| Hexyl Acetate SCHEMBL31040460 | 0.90 | TSHR (0.57) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| Octyl Acetate SCHEMBL9846070 | 0.90 | TSHR (0.57) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| Acetic Acid SCHEMBL28184357 | 0.89 | CYP3A4 (0.64) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL28748130 | 0.87 | CYP3A4 (0.61) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL10627673 | 0.87 | CYP3A4 (0.54) | CYP3A4TSHRTDP1ATMALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1053257-A1 | CARBOXYLATED CELLULOSE ESTERS | EASTMAN CHEMICAL COMPANY (US) | 2000-11-22 | — | — | EP | disclosed |
| WO-1999040120-A1 | CARBOXYLATED CELLULOSE ESTERS | EASTMAN CHEMICAL COMPANY (US) | 1999-08-12 | — | — | WO | disclosed |