Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | PLG | P00747 | 2/20 | 0.33 |
| ▸ | GHSR | Q92847 | 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 | |
|---|---|---|---|---|
| SCHEMBL7909571 | 1.00 | DDB1 (0.37) | DDB1CRBNHDAC8IRAK4MAOB | |
| SCHEMBL2135826 | 0.79 | DDB1 (0.41) | DDB1CRBNHDAC8GHSR | |
| SCHEMBL7912556 | 0.74 | — | — | |
| SCHEMBL7912557 | 0.74 | — | — | |
| SCHEMBL7456327 | 0.73 | EHMT2 (0.36) | — | |
| SCHEMBL7456321 | 0.73 | EHMT2 (0.36) | — | |
| SCHEMBL23477961 | 0.72 | CYP3A4 (0.44) | DDB1CRBNHDAC8GFER | |
| SCHEMBL22559996 | 0.72 | CYP3A4 (0.44) | DDB1CRBNHDAC8GFER | |
| SCHEMBL7455784 | 0.70 | BRD4 (0.38) | — | |
| SCHEMBL7455790 | 0.70 | BRD4 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6211184-B1 | TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS | MERCK & CO., INC. | 2001-04-03 | — | — | US | disclosed |
| US-5981546-A | Integrin antagonists | MERCK & CO., INC. (US) | 1999-11-09 | — | — | US | disclosed |