Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | RAB9A | P51151 | 7/20 | 0.49 |
| ▸ | NPC1 | O15118 | 6/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | GCK | P35557 | 1/20 | 0.40 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3660964 | 0.82 | PTK2 (0.57) | RAB9ANPC1LMNAKDM4EL3MBTL1 | |
| SCHEMBL5689275 | 0.79 | NPC1 (0.41) | ALDH1A1RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL9769346 | 0.79 | CDK5 (0.41) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL21678138 | 0.79 | NPC1 (0.43) | ALDH1A1RAB9ANPC1SMN1; SMN2LMNA | |
| SCHEMBL2035206 | 0.78 | KDR (0.44) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL9891790 | 0.77 | RAB9A (0.68) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL9769258 | 0.76 | RAB9A (0.55) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL19699480 | 0.76 | FFAR2 (0.62) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL19728673 | 0.76 | DEGS1 (0.54) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL29854856 | 0.76 | RAB9A (0.55) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5019578-A | β-adrenergic agonists | MERCK & CO., INC. (US) | 1991-05-28 | — | — | US | disclosed |
| EP-0318092-A2 | Novel beta-adrenergic agonists | MERCK & CO. INC. (US) | 1989-05-31 | — | — | EP | disclosed |