Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL83815 | 0.85 | ACHE (0.35) | TAAR1 | |
| SCHEMBL15277107 | 0.81 | RAPGEF4 (0.36) | RAPGEF4TAAR1 | |
| SCHEMBL12700587 | 0.81 | HDAC1 (0.38) | HDAC1HDAC6TAAR1 | |
| SCHEMBL14629779 | 0.79 | HDAC1 (0.32) | HDAC1HDAC6 | |
| SCHEMBL14033017 | 0.77 | NOS3 (0.34) | HDAC1HDAC6TAAR1 | |
| SCHEMBL30668 | 0.76 | HDAC1 (0.48) | HDAC1HDAC6RAPGEF4 | |
| SCHEMBL20076802 | 0.76 | HDAC1 (0.31) | HDAC1HDAC6 | |
| SCHEMBL29605427 | 0.73 | PTGS1 (0.44) | HDAC1HDAC6 | |
| SCHEMBL28773425 | 0.73 | PTGS1 (0.44) | HDAC1HDAC6 | |
| SCHEMBL12428890 | 0.72 | SELL (0.33) | RAPGEF4TAAR1 |
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-3733816-A1 | ISOTHIOCYANATO-TOLANES | Merck Patent GmbH (DE) | 2020-11-04 | — | — | EP | disclosed |
| EP-3543314-A1 | LIQUID-CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2019-09-25 | — | — | EP | disclosed |