Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
| ▸ | WDR5 | P61964 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 8/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1513514 | 0.94 | ABL1 (0.47) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL9276928 | 0.92 | ESR2 (0.48) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL1513625 | 0.84 | ESR1 (0.43) | ABL1ABCB1BCRESR1ESR2 | |
| SCHEMBL27928525 | 0.83 | ABL1 (0.52) | ABL1ABCB1BCRESR1ESR2 | |
| SCHEMBL13263254 | 0.83 | WDR5 (0.47) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL19400468 | 0.82 | WDR5 (0.43) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL16628854 | 0.82 | ALOX5AP (0.43) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL22048103 | 0.79 | MEN1 (0.44) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL16852459 | 0.78 | CES2 (0.39) | CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL410730 | 0.77 | ABL1 (0.56) | ABL1ABCB1BCRESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111378456-A | Negative liquid crystal compound containing terminal alkenyl and synthetic method thereof | 江苏和成新材料有限公司 | 2020-07-07 | — | — | CN | disclosed |