Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 4/20 | 0.52 |
| ▸ | TAS1R1 | Q7RTX1 | 4/20 | 0.52 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 10/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 7/20 | 0.44 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.44 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.44 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.44 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.44 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.44 |
| ▸ | ITGAL | P20701 | 1/20 | 0.44 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.42 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL7539797 | 0.99 | TAS1R3 (0.51) | TAS1R3TAS1R1PSMB5ITGB1ITGA4 | |
| SCHEMBL20024881 | 0.92 | CNR2 (0.50) | TAS1R3TAS1R1ITGB2ICAM1ITGAL | |
| SCHEMBL7541875 | 0.91 | TAS1R3 (0.47) | TAS1R3TAS1R1PSMB5ITGB1ITGA4 | |
| SCHEMBL12889783 | 0.87 | ITGA4 (0.45) | TAS1R3TAS1R1PSMB5ITGB1ITGA4 | |
| SCHEMBL7546250 | 0.86 | TAS1R3 (0.49) | TAS1R3TAS1R1ITGB1ITGA4ITGB7 | |
| SCHEMBL7540665 | 0.86 | TAS1R3 (0.49) | TAS1R3TAS1R1ITGB1ITGA4ITGB7 | |
| SCHEMBL7547233 | 0.85 | TAS1R3 (0.43) | TAS1R3TAS1R1PSMB5ITGB1ITGA4 | |
| SCHEMBL13923469 | 0.85 | ITGB2 (0.47) | TAS1R3TAS1R1PSMB5ITGB1ITGA4 | |
| SCHEMBL5781666 | 0.85 | ITGB2 (0.47) | TAS1R3TAS1R1PSMB5ITGB1ITGA4 | |
| SCHEMBL7544858 | 0.85 | TDP1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1209147-A1 | CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | TORAY INDUSTRIES, INC. (JP) | 2002-05-29 | — | — | EP | disclosed |