Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | PRKDC | P78527 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.30 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9267418 | 0.89 | ALDH1A1 (0.39) | GRM1ALDH1A1GAAKDM4ETSHR | |
| SCHEMBL20113675 | 0.79 | ALDH1A1 (0.34) | GRM1ALDH1A1LMNA | |
| SCHEMBL9681854 | 0.76 | ALDH1A1 (0.39) | ALDH1A1GAAKDM4ETSHRTDP1 | |
| SCHEMBL30705516 | 0.76 | ALDH1A1 (0.39) | ALDH1A1GAAKDM4ETSHRTDP1 | |
| SCHEMBL9846336 | 0.72 | GAA (0.51) | GRM1ALDH1A1GAAKDM4EL3MBTL1 | |
| SCHEMBL8594445 | 0.72 | GRM1 (0.37) | GRM1ALDH1A1GAAKDM4EHMGCR | |
| SCHEMBL28423423 | 0.71 | SRC (0.41) | ALDH1A1KDM4ETSHRTDP1HMGCR | |
| SCHEMBL686307 | 0.71 | ALDH1A1 (0.39) | ALDH1A1KDM4ETSHRTDP1HMGCR | |
| SCHEMBL20113637 | 0.70 | GRM1 (0.32) | GRM1 | |
| SCHEMBL12090841 | 0.69 | ALDH1A1 (0.39) | ALDH1A1GAAKDM4ETSHRTDP1 |
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 |