Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12292868 | 0.86 | TSHR (0.47) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL12667157 | 0.86 | TSHR (0.47) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL27969837 | 0.84 | TSHR (0.52) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL18698664 | 0.83 | ALDH1A1 (0.47) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL2398264 | 0.83 | ALDH1A1 (0.47) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL12101253 | 0.83 | ALDH1A1 (0.47) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL2398261 | 0.83 | ALDH1A1 (0.47) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL22731802 | 0.82 | TSHR (0.57) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL28061993 | 0.80 | TSHR (0.54) | TSHRCYP3A4TDP1ATMALDH1A1 | |
| SCHEMBL22186939 | 0.80 | TSHR (0.54) | TSHRCYP3A4TDP1ATMALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011054387-A1 | COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT | L'OREAL (FR) | 2011-05-12 | — | — | WO | disclosed |