Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 6/20 | 0.47 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.41 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.41 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.41 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.40 |
| ▸ | ITGAL | P20701 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7542016 | 0.93 | TAS1R3 (0.50) | TAS1R3TAS1R1ITGB1ITGA5HPGD | |
| SCHEMBL7544009 | 0.91 | TAS1R3 (0.52) | TAS1R3TAS1R1ITGB1ITGA5PSMB5 | |
| SCHEMBL7546250 | 0.90 | TAS1R3 (0.49) | TAS1R3TAS1R1ITGB1ITGA5HDAC1 | |
| SCHEMBL7540665 | 0.90 | TAS1R3 (0.49) | TAS1R3TAS1R1ITGB1ITGA5HDAC1 | |
| SCHEMBL7539797 | 0.89 | TAS1R3 (0.51) | TAS1R3TAS1R1ITGB1ITGA5PSMB5 | |
| SCHEMBL7547233 | 0.89 | TAS1R3 (0.43) | TAS1R3TAS1R1ITGB1ITGA5HDAC1 | |
| SCHEMBL7541966 | 0.87 | TDP1 (0.48) | ALDH1A1 | |
| SCHEMBL7538486 | 0.87 | TDP1 (0.48) | ALDH1A1 | |
| SCHEMBL7539254 | 0.86 | ITGB1 (0.44) | TAS1R3TAS1R1ITGB1ITGA5HDAC1 | |
| SCHEMBL7548629 | 0.85 | ITGB1 (0.55) | ITGB1ITGA5HPGDALDH1A1HDAC1 |
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 |