Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11182661 | 0.88 | VCAM1 (0.42) | ESR1ALDH1A1MAPTHPGDL3MBTL1 | |
| SCHEMBL8468614 | 0.81 | ESR1 (0.59) | ESR1L3MBTL1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL11190923 | 0.81 | VCAM1 (0.48) | MAPT | |
| SCHEMBL9296175 | 0.80 | ESR1 (0.58) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL9399916 | 0.79 | ALDH1A1 (0.35) | ALDH1A1THRBMAPTHPGDL3MBTL1 | |
| SCHEMBL9297212 | 0.77 | ESR1 (0.55) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL13756255 | 0.77 | PTGS1 (0.41) | ALDH1A1MAPTHPGDL3MBTL1 | |
| SCHEMBL17264213 | 0.76 | ALOX5 (0.49) | ESR1ALDH1A1 | |
| 1,6-Hexanediol SCHEMBL11217666 | 0.76 | GPR84 (0.40) | ESR1ALDH1A1THRBHPGDKMT2A | |
| SCHEMBL9808082 | 0.76 | PKM (0.43) | ESR1ALDH1A1MAPTHPGDL3MBTL1 |
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-0079855-A1 | Alkylated hydroxyphenylthioalcanoic esters | CIBA-GEIGY AG (CH) | 1983-05-25 | — | — | EP | disclosed |