Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30854 | 0.88 | ESR2 (0.53) | ESR2CYP2C9HDAC8HDAC6HDAC1 | |
| SCHEMBL9220519 | 0.82 | HTR2C (0.50) | ESR2ALDH1A1MAPTLMNA | |
| SCHEMBL10024807 | 0.81 | ESR2 (0.58) | ESR2CYP2C9HDAC8HDAC6HDAC1 | |
| SCHEMBL11196166 | 0.79 | ESR2 (0.77) | ESR2CYP2C9ESR1CYP3A4 | |
| SCHEMBL31158 | 0.79 | ESR2 (0.55) | ESR2CYP2C9HDAC8HDAC6HDAC1 | |
| SCHEMBL10000804 | 0.79 | ESR2 (0.55) | ESR2CYP2C9HDAC8HDAC6HDAC1 | |
| SCHEMBL30503 | 0.77 | ESR2 (0.53) | ESR2CYP2C9HDAC8HDAC6HDAC1 | |
| SCHEMBL13295933 | 0.76 | ESR2 (0.44) | ESR2CYP2C9ALDH1A1 | |
| SCHEMBL13186036 | 0.76 | ESR2 (0.60) | ESR2CYP2C9HDAC8HDAC6HDAC1 | |
| SCHEMBL13756298 | 0.76 | ESR2 (0.60) | ESR2CYP2C9HDAC8HDAC6HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012025182-A1 | SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2012-03-01 | — | — | WO | disclosed |