Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 8/20 | 0.54 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | ITGAV | P06756 | 2/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 6/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6744943 | 0.92 | ITGA4 (0.50) | ITGA4RAB9ANPC1SMN1; SMN2ITGAV | |
| SCHEMBL6742904 | 0.88 | ITGA4 (0.49) | ITGA4RAB9ASMN1; SMN2MAPTITGB1 | |
| SCHEMBL6744349 | 0.85 | FPR2 (0.46) | ITGA4RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL6742360 | 0.85 | ITGB1 (0.46) | ITGA4ITGAVITGB1MEN1KMT2A | |
| SCHEMBL6741663 | 0.84 | ITGA4 (0.57) | ITGA4ITGB1 | |
| SCHEMBL6745542 | 0.84 | ITGA4 (0.57) | ITGA4ITGB1 | |
| SCHEMBL27563993 | 0.82 | ITGA4 (0.43) | ITGA4ITGAVALDH1A1ITGB1 | |
| SCHEMBL6744273 | 0.82 | ITGA4 (0.52) | ITGA4ITGB1 | |
| SCHEMBL6741921 | 0.81 | ITGB1 (0.47) | ITGA4RAB9AITGAVMAPTITGB1 | |
| SCHEMBL6745377 | 0.81 | ITGA4 (0.44) | ITGA4ITGB1 |
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-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 |
| CN-1313855-A | Inhibitors of alpha4Betal mediated cell adhesion alpha Beta | UPJOHN CO (US) | 2001-09-19 | — | — | CN | disclosed |