Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP12 | P39900 | 2/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CTSA | P10619 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7194899 | 0.89 | ITGB3 (0.44) | MAPTMEN1KMT2AALDH1A1CYP3A4 | |
| SCHEMBL7781206 | 0.85 | ITGB3 (0.42) | MMP12MMP3MMP9MMP8MMP13 | |
| SCHEMBL7781180 | 0.85 | EEF2K (0.46) | CTSA | |
| SCHEMBL7790178 | 0.85 | CTSA (0.41) | MMP12MAPTMEN1KMT2ANPC1 | |
| SCHEMBL7789969 | 0.85 | CYP26A1 (0.42) | MAPTHTTALDH1A1SMN1; SMN2GAA | |
| SCHEMBL7785625 | 0.85 | EEF2K (0.41) | MAPTMEN1KMT2AALDH1A1TSHR | |
| SCHEMBL7788749 | 0.84 | ITGB3 (0.44) | MAPTMEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL7790073 | 0.84 | CYP26A1 (0.46) | MAPTMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL7786241 | 0.84 | CTSA (0.46) | MEN1KMT2AALDH1A1GAACTSA | |
| SCHEMBL7786214 | 0.83 | S1PR3 (0.41) | MEN1KMT2AALDH1A1CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1147079-A2 | BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS | Bayer Aktiengesellschaft (DE) | 2001-10-24 | — | — | EP | disclosed |
| WO-2000041469-A2 | β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-07-20 | — | — | WO | disclosed |