Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 7/20 | 0.46 |
| ▸ | ITGB7 | P26010 | 5/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PTGFR | P43088 | 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 | |
|---|---|---|---|---|
| SCHEMBL6374122 | 0.85 | HSD11B1 (0.47) | ITGA4ITGB7ITGB1CA2CAPN1 | |
| SCHEMBL6372390 | 0.84 | ITGA4 (0.51) | ITGA4ITGB7ITGB1CA2CAPN1 | |
| SCHEMBL6368651 | 0.82 | TP53 (0.56) | ITGA4ITGB1LMNASMN1; SMN2 | |
| SCHEMBL6374045 | 0.82 | ALDH1A1 (0.43) | CA2ALDH1A1TSHRLMNASMN1; SMN2 | |
| SCHEMBL3385855 | 0.77 | ALDH1A1 (0.54) | ITGA4ITGB7ITGB1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7072369 | 0.76 | ITGB1 (0.59) | ITGA4ITGB7ITGB1ALDH1A1FPR2 | |
| SCHEMBL6368647 | 0.75 | HSD11B1 (0.50) | ITGA4ITGB7ITGB1CA2ALDH1A1 | |
| SCHEMBL6368571 | 0.74 | ITGA4 (0.51) | ITGA4ITGB7ITGB1 | |
| SCHEMBL6368956 | 0.74 | HSD11B1 (0.45) | ITGA4ITGB7ITGB1PTGFR | |
| SCHEMBL7453286 | 0.74 | PDE4D (0.55) | CA2ALDH1A1TSHRSMN1; SMN2MEN1 |
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-6903075-B1 | Heterocyclic amide compounds as cell adhesion inhibitors | MERCK & CO., INC. (US) | 2005-06-07 | — | — | US | claimed |
| WO-1999064395-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-12-16 | — | — | WO | claimed |