Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.34 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL270004 | 0.92 | — | — | |
| Fluoride SCHEMBL9596912 | 0.89 | ALDH1A1 (0.65) | ALDH1A1TSHRTDP1HDAC8APP | |
| Fluoride SCHEMBL9596917 | 0.89 | ALDH1A1 (0.65) | ALDH1A1TSHRTDP1HDAC8APP | |
| SCHEMBL593791 | 0.86 | ALDH1A1 (0.79) | ALDH1A1TSHRTDP1HDAC8HDAC2 | |
| SCHEMBL583978 | 0.86 | ALDH1A1 (0.79) | ALDH1A1TSHRTDP1HDAC8HDAC2 | |
| Water SCHEMBL7178879 | 0.83 | ALDH1A1 (0.73) | ALDH1A1TSHRTDP1HDAC8HDAC2 | |
| SCHEMBL30845547 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1HDAC8APP | |
| SCHEMBL28733203 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1HDAC8APP | |
| SCHEMBL16180699 | 0.78 | ALDH1A1 (0.65) | ALDH1A1TSHRTDP1HDAC8HDAC2 | |
| Styrene SCHEMBL29445598 | 0.77 | ALDH1A1 (0.70) | ALDH1A1TSHRTDP1HDAC8APP |
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-2019110458-A1 | LIQUID-CRYSTALLINE MEDIUM FOR USE IN A SWITCHING ELEMENT | MERCK PATENT GMBH (DE) | 2019-06-13 | — | — | WO | disclosed |