Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11087082 | 0.95 | ESR1 (0.40) | ESR1HDAC3HDAC1HDAC11HDAC8 | |
| SCHEMBL11078447 | 0.90 | ESR1 (0.46) | ESR1HDAC3HDAC1HDAC11HDAC8 | |
| SCHEMBL158645 | 0.77 | ESR1 (0.44) | ESR1HDAC3HDAC1HDAC11HDAC8 | |
| SCHEMBL14288465 | 0.73 | ESR1 (0.44) | ESR1HDAC3HDAC1HDAC11HDAC8 | |
| SCHEMBL9000665 | 0.73 | CHRM2 (0.43) | ESR1CHRM3CHRM2CHRM1HTT | |
| SCHEMBL22023927 | 0.73 | ESR1 (0.43) | ESR1HDAC3HDAC1HDAC11HDAC8 | |
| SCHEMBL7683272 | 0.73 | ESR1 (0.43) | ESR1HDAC3HDAC1HDAC11HDAC8 | |
| SCHEMBL27173394 | 0.71 | ESR1 (0.42) | ESR1HDAC3HDAC1HDAC11HDAC8 | |
| SCHEMBL27204958 | 0.71 | ESR1 (0.42) | ESR1HDAC3HDAC1HDAC11HDAC8 | |
| SCHEMBL27173324 | 0.71 | ESR1 (0.42) | ESR1HDAC3HDAC1HDAC11HDAC8 |
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-4467102-A | RACEMIC MODIFICATION WITH BRUCINE | UBE INDUSTRIES, LTD. (JP) | 1984-08-21 | — | — | US | disclosed |