Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CTSA | P10619 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6432788 | 1.00 | SMN1; SMN2 (0.45) | SMN1; SMN2KMT2ACTSAPTGS2CYP2C9 | |
| SCHEMBL6436537 | 0.85 | KMT2A (0.44) | SMN1; SMN2KMT2ACTSAFFAR1 | |
| SCHEMBL6436540 | 0.85 | KMT2A (0.44) | SMN1; SMN2KMT2ACTSAFFAR1 | |
| SCHEMBL6772835 | 0.83 | SMN1; SMN2 (0.50) | SMN1; SMN2KMT2ACTSAPTGS2CYP2C9 | |
| SCHEMBL7947624 | 0.83 | HDAC4 (0.33) | SMN1; SMN2KMT2ACTSAPTGS2ALDH1A1 | |
| SCHEMBL7947620 | 0.83 | HDAC4 (0.33) | SMN1; SMN2KMT2ACTSAPTGS2ALDH1A1 | |
| SCHEMBL28116080 | 0.81 | KMT2A (0.70) | SMN1; SMN2KMT2ACTSAFFAR1 | |
| SCHEMBL14698090 | 0.81 | KMT2A (0.70) | SMN1; SMN2KMT2ACTSAFFAR1 | |
| SCHEMBL25166824 | 0.79 | KMT2A (0.38) | SMN1; SMN2KMT2ACTSAPOLBFFAR1 | |
| SCHEMBL25166825 | 0.79 | KMT2A (0.38) | SMN1; SMN2KMT2ACTSAPOLBFFAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1040111-B1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2005-06-22 | — | — | EP | disclosed |
| EP-1040111-A1 | INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2000-10-04 | — | — | EP | disclosed |
| WO-1999031099-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1999-06-24 | — | — | WO | disclosed |