Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 6/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | TPH1 | P17752 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5165900 | 0.99 | ALDH1A1 (0.41) | ITGA4ITGB1ERN1ALDH1A1ITGB7 | |
| SCHEMBL27494301 | 0.86 | SLC7A5 (0.50) | ITGA4ITGB1ALDH1A1ITGB7PTGS2 | |
| SCHEMBL27494302 | 0.86 | SLC7A5 (0.50) | ITGA4ITGB1ALDH1A1ITGB7PTGS2 | |
| SCHEMBL5161747 | 0.84 | ITGB1 (0.55) | ITGA4ITGB1ERN1ALDH1A1ITGB7 | |
| SCHEMBL6236587 | 0.82 | ITGB1 (0.41) | ITGA4ITGB1ALDH1A1PTGS2TPH1 | |
| Hydrochloric Acid SCHEMBL27502521 | 0.81 | ALDH1A1 (0.42) | ITGA4ITGB1ALDH1A1PTGS2TPH1 | |
| Hydrochloric Acid SCHEMBL6236581 | 0.81 | ALDH1A1 (0.42) | ITGA4ITGB1ALDH1A1PTGS2TPH1 | |
| SCHEMBL27488188 | 0.80 | DPP4 (0.42) | ITGA4ALDH1A1ITGB7PTGS2TPH1 | |
| SCHEMBL27488187 | 0.80 | DPP4 (0.42) | ITGA4ALDH1A1ITGB7PTGS2TPH1 | |
| SCHEMBL6236132 | 0.80 | ITGA4 (0.51) | ITGA4ITGB1ALDH1A1ITGB7PTGS2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1237878-B1 | 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| EP-1237878-A2 | 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-09-11 | — | — | EP | disclosed |
| US-6380387-B1 | ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS | HOFFMANN-LA ROCHE INC. | 2002-04-30 | — | — | US | disclosed |
| WO-2001042225-A2 | 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-06-14 | — | — | WO | disclosed |