Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | HPGD | P15428 | 5/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15211675 | 0.84 | HSP90AB1 (0.49) | ALDH1A1HPGDMAPTHSD17B10TP53 | |
| SCHEMBL8147162 | 0.82 | LMNA (0.54) | ALDH1A1HPGDMAPTHSD17B10TP53 | |
| SCHEMBL6239095 | 0.81 | MAPT (0.54) | ALDH1A1HPGDMAPTHSD17B10TP53 | |
| SCHEMBL8147119 | 0.75 | MAPT (0.64) | ALDH1A1HPGDMAPTHSD17B10TP53 | |
| SCHEMBL15426812 | 0.74 | MAPT (0.55) | ALDH1A1HPGDMAPTHSD17B10TP53 | |
| SCHEMBL6764561 | 0.74 | FFAR1 (0.61) | ALDH1A1HPGDMAPTHSD17B10TP53 | |
| SCHEMBL8147865 | 0.74 | MAPT (0.62) | ALDH1A1HPGDMAPTHSD17B10TP53 | |
| SCHEMBL8145291 | 0.73 | HSD17B10 (0.51) | ALDH1A1HPGDMAPTHSD17B10TP53 | |
| SCHEMBL6823148 | 0.73 | MAPT (0.57) | ALDH1A1HPGDMAPTHSD17B10TP53 | |
| SCHEMBL20669538 | 0.73 | MAPT (0.50) | ALDH1A1HPGDMAPTHSD17B10TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-6028090-A | Adhesion receptor antagonists III | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-02-22 | — | — | US | disclosed |
| US-5723480-A | Adhesion receptor antagonists III | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-03-03 | — | — | US | disclosed |
| US-5561148-A | Adhesion receptor antagonists III | MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) | 1996-10-01 | — | — | US | disclosed |