Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 2/20 | 0.31 |
| ▸ | NSD2 | O96028 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19993444 | 0.91 | AR (0.33) | CYP11B1CYP11B2AR | |
| SCHEMBL19993380 | 0.75 | RXRA (0.40) | CYP11B1CYP11B2AR | |
| SCHEMBL13001686 | 0.72 | TSHR (0.52) | S1PR1EGLN2CYP11B1CYP11B2TSHR | |
| SCHEMBL19993338 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL19993386 | 0.72 | LOXL2 (0.41) | TSHRAR | |
| SCHEMBL2806097 | 0.71 | ESR2 (0.41) | S1PR1EGLN2CYP11B1CYP11B2TSHR | |
| SCHEMBL8963330 | 0.70 | ESR1 (0.48) | EGLN2TSHRMRGPRX4 | |
| SCHEMBL19993465 | 0.70 | — | — | |
| SCHEMBL19993467 | 0.68 | MAOB (0.30) | — | |
| SCHEMBL25377539 | 0.67 | TSHR (0.36) | EGLN2TSHRAR |
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-2018050573-A1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2018-03-22 | — | — | WO | disclosed |