Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 4/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 4/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 3/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 3/20 | 1.00 |
| ▸ | LMNA | P02545 | 2/20 | 1.00 |
| ▸ | BLM | P54132 | 2/20 | 1.00 |
| ▸ | TSHR | P16473 | 2/20 | 1.00 |
| ▸ | PMP22 | Q01453 | 2/20 | 1.00 |
| ▸ | MEN1 | O00255 | 2/20 | 1.00 |
| ▸ | THRB | P10828 | 2/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 2/20 | 1.00 |
| ▸ | RAB9A | P51151 | 1/20 | 1.00 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.48 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.48 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.48 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.40 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.38 |
| ▸ | CAD | P27708 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL179769 | 1.00 | ALOX15 (1.00) | ALOX15CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL179768 | 1.00 | ALOX15 (1.00) | ALOX15CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL179767 | 1.00 | ALOX15 (1.00) | ALOX15CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL1321720 | 1.00 | ALOX15 (1.00) | ALOX15CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL28565982 | 0.88 | CYP2D6 (0.78) | ALOX15CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL9352591 | 0.86 | CYP2D6 (0.74) | ALOX15CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL9352602 | 0.86 | CYP2D6 (0.74) | ALOX15CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL9352608 | 0.86 | CYP2D6 (0.74) | ALOX15CYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL13430442 | 0.84 | — | — | |
| SCHEMBL23421119 | 0.83 | CYP2C19 (0.71) | ALOX15CYP1A2CYP2D6CYP2C19LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6685617-B1 | 4-(((-1-CARBOXY-2-(4-((2,6-DICHLOROBENZOYL)AMINE)PHENYL)ETHYL) AMINO)CARBONYL)-3-OXO-3-THIAZOLIDINEBUTANOIC ACID, USED AS ANTAGONISTS FOR CELLULAR ADHESION MOLECULES, AND ADMINISTERED AS ANTIINFLAMMATORY AGENTS | PHARMACIA & UPJOHN COMPANY | 2004-02-03 | — | — | US | disclosed |