Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.40 |
| ▸ | FABP1 | P07148 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8499992 | 0.89 | MEN1 (0.42) | PFKFB3HSD17B1HSD17B2FABP1CA1 | |
| SCHEMBL8500583 | 0.85 | PFKFB3 (0.39) | PFKFB3HSD17B1HSD17B2FABP1PDE4B | |
| SCHEMBL8501758 | 0.83 | HTR6 (0.43) | PFKFB3HSD17B1HSD17B2FABP1MAPT | |
| SCHEMBL8501524 | 0.82 | PFKFB3 (0.47) | PFKFB3HSD17B1HSD17B2FABP1PDE4B | |
| SCHEMBL7376815 | 0.80 | ALDH1A1 (0.55) | CA1CA2MAPTHTR6MEN1 | |
| SCHEMBL8531518 | 0.76 | CA1 (0.34) | CA1CA2MAPTMEN1HPGD | |
| SCHEMBL8371225 | 0.75 | ITGB3 (0.53) | PFKFB3MAPTHTR6MEN1KMT2A | |
| SCHEMBL8536130 | 0.74 | CA1 (0.35) | HSD17B1HSD17B2CA1CA2MAPT | |
| SCHEMBL7864756 | 0.74 | CA1 (0.38) | PFKFB3HSD17B1HSD17B2CA1CA2 | |
| SCHEMBL8501256 | 0.73 | KMT2A (0.33) | PFKFB3FABP1CA1CA2MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0889877-A1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | G.D. SEARLE & CO. (US) | 1999-01-13 | — | — | EP | claimed |
| WO-1997036862-A1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | G.D. SEARLE & CO. (US) | 1997-10-09 | — | — | WO | claimed |
| EP-0889877-A1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | G.D. SEARLE & CO. (US) | 1999-01-13 | — | — | EP | disclosed |
| WO-1997036862-A1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | G.D. SEARLE & CO. (US) | 1997-10-09 | — | — | WO | disclosed |