Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29460338 | 0.78 | CYP3A4 (0.48) | CYP3A4L3MBTL1TSHRTDP1ATM | |
| SCHEMBL2280801 | 0.77 | CYP3A4 (0.52) | CYP3A4L3MBTL1TSHRTDP1ATM | |
| SCHEMBL5354836 | 0.77 | CYP3A4 (0.52) | CYP3A4L3MBTL1TSHRTDP1ATM | |
| SCHEMBL30940561 | 0.77 | CYP3A4 (0.47) | CYP3A4L3MBTL1TSHRTDP1ATM | |
| SCHEMBL11927544 | 0.76 | CYP3A4 (0.46) | CYP3A4L3MBTL1TSHRTDP1ATM | |
| SCHEMBL19822055 | 0.74 | CYP3A4 (0.48) | CYP3A4L3MBTL1TSHRTDP1ATM | |
| SCHEMBL14102237 | 0.74 | CYP3A4 (0.49) | CYP3A4L3MBTL1TSHRTDP1ATM | |
| SCHEMBL6823157 | 0.74 | CYP3A4 (0.49) | CYP3A4L3MBTL1TSHRTDP1ATM | |
| SCHEMBL17162897 | 0.73 | CYP3A4 (0.47) | CYP3A4L3MBTL1TSHRTDP1ATM | |
| SCHEMBL17162896 | 0.73 | CYP3A4 (0.49) | CYP3A4L3MBTL1TSHRTDP1ATM |
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-1204715-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GmbH (DE) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001012751-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2001-02-22 | — | — | WO | disclosed |