Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL16432562 | 0.85 | ALDH1A1 (0.54) | ALDH1A1HPGDGAAKDM4EMEN1 | |
| SCHEMBL7448819 | 0.81 | CDC7 (0.45) | ALDH1A1KDM4EMAPTHTTSMN1; SMN2 | |
| SCHEMBL2823244 | 0.81 | ALDH1A1 (0.44) | ALDH1A1HPGDGAAKDM4EATM | |
| SCHEMBL2825955 | 0.76 | ALDH1A1 (0.39) | ALDH1A1HPGDGAAKDM4EATM | |
| SCHEMBL7445418 | 0.76 | ALDH1A1 (0.42) | ALDH1A1HPGDGAAKDM4EATM | |
| SCHEMBL7233421 | 0.74 | NPC1 (0.54) | ALDH1A1HPGDGAAKDM4EATM | |
| SCHEMBL20757351 | 0.74 | OGA (0.50) | ALDH1A1HPGDGAAKDM4EMAPT | |
| SCHEMBL7572593 | 0.74 | GAA (0.43) | ALDH1A1HPGDGAAKDM4EMEN1 | |
| SCHEMBL2083552 | 0.73 | ALDH1A1 (0.47) | ALDH1A1HPGDGAAKDM4EATM | |
| SCHEMBL2822074 | 0.73 | BTK (0.37) | ALDH1A1HPGDGAAKDM4EATM |
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-1998046599-A1 | NOVEL CARBOXAMIDES AS PLATELET AGGREGATION INHIBITORS | J. URIACH & CIA. S.A. (ES) | 1998-10-22 | — | — | WO | disclosed |