Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 8/20 | 0.59 |
| ▸ | ITGB7 | P26010 | 7/20 | 0.59 |
| ▸ | ITGB1 | P05556 | 7/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | KYNU | Q16719 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5162949 | 0.86 | ITGA4 (0.59) | ITGA4ITGB7ITGB1ALDH1A1ALOX15 | |
| SCHEMBL5165005 | 0.82 | ITGB1 (0.84) | ITGA4ITGB7ITGB1 | |
| SCHEMBL5162201 | 0.80 | ITGB1 (0.55) | ITGA4ITGB7ITGB1ALDH1A1 | |
| SCHEMBL14564362 | 0.78 | ALDH1A1 (0.44) | ITGA4ITGB7ALDH1A1ALOX15CYP3A4 | |
| SCHEMBL5162151 | 0.77 | ALDH1A1 (0.56) | ALDH1A1ALOX15CYP3A4TSHRMEN1 | |
| SCHEMBL5162574 | 0.77 | ALDH1A1 (0.56) | ALDH1A1ALOX15CYP3A4TSHRMEN1 | |
| SCHEMBL5893140 | 0.76 | ALDH1A1 (0.55) | ALDH1A1ALOX15CYP3A4TSHRMEN1 | |
| Hydrochloric Acid SCHEMBL5162142 | 0.76 | ALDH1A1 (0.55) | ALDH1A1ALOX15CYP3A4TSHRMEN1 | |
| SCHEMBL7151822 | 0.75 | ALDH1A1 (0.74) | ALDH1A1ALOX15CYP3A4TSHRMEN1 | |
| SCHEMBL329686 | 0.75 | ALDH1A1 (0.74) | ALDH1A1ALOX15CYP3A4TSHRMEN1 |
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 |