Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 7/20 | 0.41 |
| ▸ | ITGAV | P06756 | 7/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PKLR | P30613 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9054860 | 0.92 | ITGB3 (0.42) | ITGB3ITGAVITGA2B | |
| SCHEMBL9055898 | 0.89 | ITGB3 (0.46) | ITGB3ITGAVITGA2BALDH1A1GAA | |
| SCHEMBL9062258 | 0.83 | F2 (0.45) | ITGB3ITGAVITGA2B | |
| SCHEMBL9058624 | 0.82 | F2 (0.51) | — | |
| SCHEMBL9054703 | 0.82 | ITGB3 (0.45) | ITGB3ITGAVITGA2B | |
| SCHEMBL9056911 | 0.80 | ITGB3 (0.41) | ITGB3ITGAVITGA2B | |
| SCHEMBL9057064 | 0.79 | F2 (0.51) | ITGB3ITGAVITGA2BALOX15GAA | |
| SCHEMBL9054913 | 0.78 | ALDH1A1 (0.43) | ITGB3ITGAVITGA2BALDH1A1ALOX15 | |
| SCHEMBL9055341 | 0.78 | ITGB3 (0.40) | ITGB3ITGAVITGA2B | |
| SCHEMBL9056228 | 0.76 | ITGB3 (0.41) | ITGB3ITGAVITGA2BALDH1A1 |
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-1996002517-A1 | SUBSTITUTED ARYLSULFONAMIDES, THEIR PREPARATION AND USE AS THROMBIN-INHIBITING MEDICAMENTS | DR. KARL THOMAE GMBH (DE) | 1996-02-01 | — | — | WO | disclosed |