Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 8/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL10484201 | 1.00 | CES2 (0.47) | CES2CES1ESR1ESR2LTA4H | |
| SCHEMBL10484146 | 0.88 | CES2 (0.47) | CES2CES1ESR1CYP19A1CDK5 | |
| SCHEMBL10484009 | 0.88 | CES2 (0.47) | CES2CES1ESR1CYP19A1CDK5 | |
| SCHEMBL10484147 | 0.88 | CES2 (0.47) | CES2CES1ESR1CYP19A1CDK5 | |
| SCHEMBL10484007 | 0.88 | CES2 (0.47) | CES2CES1ESR1CYP19A1CDK5 | |
| SCHEMBL10483997 | 0.87 | ESR1 (0.56) | CES2CES1ESR1ESR2CYP19A1 | |
| SCHEMBL10483990 | 0.87 | ESR1 (0.56) | CES2CES1ESR1ESR2CYP19A1 | |
| SCHEMBL10484153 | 0.87 | ESR1 (0.56) | CES2CES1ESR1ESR2CYP19A1 | |
| SCHEMBL28255793 | 0.84 | CES2 (0.60) | CES2CES1ESR1ESR2LTA4H | |
| SCHEMBL10484347 | 0.81 | PTGS1 (0.48) | CES2CES1ESR1MAPTNPC1 |
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 |