Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.62 |
| ▸ | ATM | Q13315 | 1/20 | 0.62 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP14 | P50281 | 1/20 | 0.42 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22349621 | 1.00 | CYP3A4 (0.62) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL30964178 | 0.98 | CYP3A4 (0.60) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL20608550 | 0.92 | RECQL (0.59) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL29211216 | 0.86 | PRSS1 (0.48) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL29211209 | 0.86 | PRSS1 (0.48) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL29211214 | 0.86 | PRSS1 (0.48) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL29211211 | 0.86 | PRSS1 (0.48) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL245036 | 0.85 | CYP3A4 (0.66) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL14989535 | 0.85 | CYP3A4 (0.40) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL807502 | 0.85 | CYP3A4 (0.40) | CYP3A4TSHRTDP1ATMRECQL |
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 |
|---|---|---|---|---|---|---|---|
| CN-1918111-A | Formulation aid | MERCK PATENT GMBH (DE) | 2007-02-21 | — | — | CN | disclosed |