Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9760089 | 0.80 | L3MBTL1 (0.46) | ALDH1A1ALOX15TDP1SMYD3USP2 | |
| SCHEMBL6137433 | 0.76 | ALDH1A1 (0.50) | ALDH1A1ALOX15TDP1USP2NAAA | |
| SCHEMBL6137430 | 0.76 | ALDH1A1 (0.50) | ALDH1A1ALOX15TDP1USP2NAAA | |
| SCHEMBL6137424 | 0.76 | ALDH1A1 (0.50) | ALDH1A1ALOX15TDP1USP2NAAA | |
| SCHEMBL27346911 | 0.76 | L3MBTL1 (0.41) | ALDH1A1SMYD3CYP1A2TSHRKMT2A | |
| SCHEMBL11021041 | 0.76 | USP2 (0.54) | ALDH1A1ALOX15TDP1SMYD3USP2 | |
| SCHEMBL28992177 | 0.76 | USP2 (0.54) | ALDH1A1ALOX15TDP1SMYD3USP2 | |
| SCHEMBL6564298 | 0.76 | L3MBTL1 (0.42) | ALDH1A1SMYD3CYP1A2TSHRKMT2A | |
| SCHEMBL11652362 | 0.75 | THRB (0.55) | SMYD3NAAATSHRCNR2L3MBTL1 | |
| SCHEMBL16060975 | 0.74 | USP2 (0.56) | ALDH1A1ALOX15TDP1USP2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2087067-B1 | CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS | MERCK PATENT GMBH (DE) | 2012-06-27 | — | — | EP | disclosed |