Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13348378 | 0.90 | TSHR (0.34) | ALDH1A1 | |
| SCHEMBL10030747 | 0.82 | THRB (0.31) | — | |
| SCHEMBL10072882 | 0.81 | TLR4 (0.34) | TLR4CYP2C9 | |
| SCHEMBL23494341 | 0.79 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL19855692 | 0.75 | TSHR (0.39) | TLR4ALDH1A1 | |
| SCHEMBL17147338 | 0.75 | CTSK (0.35) | TLR4ALDH1A1 | |
| SCHEMBL4642804 | 0.74 | TLR4 (0.41) | TLR4ALDH1A1KMT2ACYP2C9 | |
| SCHEMBL16133527 | 0.73 | TSHR (0.53) | TLR4ALDH1A1KMT2A | |
| SCHEMBL14907410 | 0.73 | TSHR (0.53) | TLR4ALDH1A1KMT2A | |
| SCHEMBL3477059 | 0.73 | TSHR (0.53) | TLR4ALDH1A1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2087067-B1 | CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS | MERCK PATENT GMBH (DE) | 2012-06-27 | — | — | EP | disclosed |
| WO-2008061606-A1 | CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS | MERCK PATENT GMBH (DE) | 2008-05-29 | — | — | WO | disclosed |