Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.49 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.49 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16381772 | 0.82 | TYR (0.63) | ESR1ESR2HDAC1HDAC3HDAC4 | |
| SCHEMBL15943011 | 0.82 | HCAR2 (0.61) | ESR1ESR2HDAC1HDAC3HDAC4 | |
| SCHEMBL15483131 | 0.80 | HDAC1 (0.54) | ESR1ESR2HDAC1HDAC3HDAC4 | |
| SCHEMBL22882015 | 0.80 | HDAC1 (0.51) | ESR1ESR2HDAC1HDAC3HDAC4 | |
| SCHEMBL5426867 | 0.79 | HTR2B (0.48) | ESR1ESR2CYP1B1SLC5A1SLC5A2 | |
| SCHEMBL16588259 | 0.79 | HDAC1 (0.61) | HDAC1HDAC3HDAC4HDAC2HDAC10 | |
| SCHEMBL1375665 | 0.79 | F3 (0.64) | ESR1ESR2CYP1B1SLC5A1SLC5A2 | |
| SCHEMBL2744670 | 0.79 | F3 (0.64) | ESR1ESR2CYP1B1SLC5A1SLC5A2 | |
| SCHEMBL13460135 | 0.78 | ESR1 (0.46) | ESR1ESR2CYP1B1SLC5A1SLC5A2 | |
| SCHEMBL28735628 | 0.78 | ESR1 (0.46) | ESR1ESR2CYP1B1SLC5A1SLC5A2 |
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-2678334-B1 | ANTI-VIRAL COMPOUNDS | ABBVIE BAHAMAS LTD (BS) | 2017-03-22 | — | — | EP | disclosed |