Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.39 |
| ▸ | IDH1 | O75874 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9681349 | 0.86 | MAPT (0.40) | BTKMAPTKDM4EALDH1A1GAA | |
| SCHEMBL9333881 | 0.83 | MAPT (0.35) | MAPTKDM4EALDH1A1GAAHIF1A | |
| SCHEMBL9281981 | 0.82 | MAPT (0.37) | MAPTKDM4EALDH1A1GAAHIF1A | |
| SCHEMBL9246249 | 0.77 | MAPT (0.32) | MAPTKDM4EGAAAPAF1RECQL | |
| SCHEMBL9846089 | 0.77 | NPSR1 (0.38) | MAPTKDM4EALDH1A1GAAHIF1A | |
| SCHEMBL9246243 | 0.77 | PDE1A (0.32) | MAPTKDM4EGAAAPAF1RECQL | |
| SCHEMBL9846139 | 0.76 | CYP2C9 (0.37) | MAPTKDM4EALDH1A1GAAAPAF1 | |
| SCHEMBL10919184 | 0.75 | ALDH1A1 (0.50) | BTKMAPTKDM4EALDH1A1GAA | |
| SCHEMBL9846192 | 0.74 | HCAR2 (0.40) | MAPTKDM4EAPAF1RECQLIDH1 | |
| SCHEMBL9432527 | 0.73 | NPSR1 (0.47) | MAPTKDM4EALDH1A1GAAALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0462800-A2 | Inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1991-12-27 | — | — | EP | disclosed |