Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL458236 | 1.00 | ALDH1A1 (0.48) | ALDH1A1MAPK1CRHBPCRHR2CYP3A4 | |
| SCHEMBL15678829 | 0.96 | CRHBP (0.47) | ALDH1A1MAPK1CRHBPCRHR2CYP3A4 | |
| SCHEMBL24608790 | 0.96 | CRHBP (0.47) | ALDH1A1MAPK1CRHBPCRHR2CYP3A4 | |
| SCHEMBL9953257 | 0.96 | ALDH1A1 (0.44) | ALDH1A1MAPK1CRHBPCRHR2CYP3A4 | |
| SCHEMBL31453990 | 0.89 | L3MBTL1 (0.52) | ALDH1A1MAPK1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4303038 | 0.88 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15498046 | 0.85 | ALDH1A1 (0.39) | ALDH1A1MAPK1CRHBPCRHR2CYP3A4 | |
| SCHEMBL12440897 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL18518742 | 0.82 | L3MBTL1 (0.53) | ALDH1A1MAPK1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14394868 | 0.82 | CRHBP (0.50) | ALDH1A1MAPK1CRHBPCRHR2CYP3A4 |
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-2507341-B1 | COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY, LIQUID CRYSTAL MEDIA AND COMPOUNDS | MERCK PATENT GMBH (DE) | 2014-10-29 | — | — | EP | disclosed |