Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.59 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CTSA | P10619 | 6/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6859171 | 0.87 | SMN1; SMN2 (0.54) | KEAP1NFE2L2SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL6857593 | 0.86 | SMN1; SMN2 (0.64) | SMN1; SMN2ALDH1A1LMNACYP26A1POLB | |
| SCHEMBL6857626 | 0.85 | ALDH1A1 (0.55) | KEAP1NFE2L2SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL6859119 | 0.85 | SMN1; SMN2 (0.53) | KEAP1NFE2L2SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL15654637 | 0.85 | CYP26A1 (0.58) | KEAP1NFE2L2SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL28784050 | 0.84 | SMN1; SMN2 (0.59) | SMN1; SMN2ALDH1A1LMNAPOLBCTSA | |
| SCHEMBL7362926 | 0.83 | KEAP1 (0.53) | KEAP1NFE2L2SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL21476083 | 0.83 | KEAP1 (0.53) | KEAP1NFE2L2SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL1138669 | 0.81 | CYP26A1 (0.51) | KEAP1NFE2L2SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL15787300 | 0.81 | CYP26A1 (0.54) | KEAP1NFE2L2SMN1; SMN2ALDH1A1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011098603-A1 | 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS | UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) | 2011-08-18 | — | — | WO | disclosed |