Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGAV | P06756 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL7864756 | 0.91 | CA1 (0.38) | GBA1CA1CA2PFKFB3MAPT | |
| SCHEMBL7864164 | 0.88 | HDAC4 (0.38) | GBA1CA1CA2PFKFB3MAPT | |
| SCHEMBL7856460 | 0.87 | CA1 (0.41) | GBA1CA1CA2MAPTCA9 | |
| SCHEMBL7866912 | 0.87 | SMN1; SMN2 (0.41) | GBA1PFKFB3MAPTITGB3ITGAV | |
| SCHEMBL7861775 | 0.87 | EEF2K (0.43) | GBA1CA1CA2PFKFB3MAPT | |
| SCHEMBL7864234 | 0.83 | PGR (0.41) | PFKFB3HTR6ITGB3ITGAVMEN1 | |
| SCHEMBL7864636 | 0.81 | PKM (0.41) | CA1CA2PFKFB3CASP3HTR6 | |
| SCHEMBL8371142 | 0.80 | PFKFB3 (0.43) | CA1CA2PFKFB3MAPTHTR6 | |
| SCHEMBL7864212 | 0.78 | MEN1 (0.41) | GBA1CA1CA2MAPTCA9 | |
| SCHEMBL7864668 | 0.78 | GAA (0.40) | CA1CA2PFKFB3MAPTHTR6 |
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-0889877-B1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | SEARLE & CO (US) | 2001-08-29 | — | — | EP | claimed |
| EP-0889877-B1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | SEARLE & CO (US) | 2001-08-29 | — | — | EP | disclosed |