Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.43 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10484007 | 1.00 | CES2 (0.47) | CES2CES1ALDH1A1GAAPTGS1 | |
| SCHEMBL10484009 | 1.00 | CES2 (0.47) | CES2CES1ALDH1A1GAAPTGS1 | |
| SCHEMBL10484146 | 1.00 | CES2 (0.47) | CES2CES1ALDH1A1GAAPTGS1 | |
| SCHEMBL10484347 | 0.94 | PTGS1 (0.48) | CES2CES1ALDH1A1GAAPTGS1 | |
| SCHEMBL10484344 | 0.94 | PTGS1 (0.48) | CES2CES1ALDH1A1GAAPTGS1 | |
| SCHEMBL10484201 | 0.88 | CES2 (0.47) | CES2CES1ALDH1A1MAPTNPC1 | |
| SCHEMBL10484187 | 0.88 | CES2 (0.47) | CES2CES1ALDH1A1MAPTNPC1 | |
| SCHEMBL10484473 | 0.87 | CES1 (0.42) | CES2CES1NPC1RAB9APKM | |
| SCHEMBL10484481 | 0.87 | CES1 (0.42) | CES2CES1NPC1RAB9APKM | |
| SCHEMBL10484164 | 0.85 | ESRRG (0.41) | ALDH1A1PTGS1MAPTNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-4806685-A | EXERTS VARIOUS EFFECTS ON ENDOCRINOUS SYSTEM OF RATS; INHIBITS GROWTH OF MAMMARY TUMORS | GYOGYSZERKUTATO INTEEZET/PHARMACEUTICAL RESEARCH INSTITUTE (HU) | 1989-02-21 | — | — | US | disclosed |