Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5727473 | 0.91 | CNR1 (0.34) | HDAC3HDAC1HDAC2 | |
| SCHEMBL5728400 | 0.87 | ACKR3 (0.32) | HDAC1HDAC2 | |
| SCHEMBL5434926 | 0.87 | ALDH1A1 (0.35) | NR1H4HDAC3HDAC1HDAC2 | |
| SCHEMBL5434922 | 0.87 | ALDH1A1 (0.35) | NR1H4HDAC3HDAC1HDAC2 | |
| SCHEMBL14505508 | 0.87 | ALDH1A1 (0.35) | NR1H4HDAC3HDAC1HDAC2 | |
| SCHEMBL5438174 | 0.83 | CYP2E1 (0.33) | HDAC3HDAC1HDAC2 | |
| SCHEMBL5438170 | 0.83 | CYP2E1 (0.33) | HDAC3HDAC1HDAC2 | |
| SCHEMBL5728494 | 0.83 | HDAC1 (0.33) | HDAC3HDAC1HDAC2 | |
| SCHEMBL6111129 | 0.81 | CUL4A (0.32) | — | |
| SCHEMBL5728123 | 0.80 | KDM4E (0.36) | HDAC3HDAC1HDAC2 |
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-1694665-A2 | SUBSTITUTED THIOPHENES | AiCuris GmbH & Co. KG (DE) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005063734-A2 | SUBSTITUTED THIOPHENES | AICURIS GMBH & CO. KG (DE) | 2005-07-14 | — | — | WO | disclosed |