Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 4/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19526126 | 0.73 | GABRA1 (0.38) | KDM4EALDH1A1TP53L3MBTL1NPSR1 | |
| SCHEMBL9846307 | 0.70 | GRIN2D (0.42) | PDE3BPDE3AHTTKDM4EALDH1A1 | |
| SCHEMBL9016299 | 0.69 | ALDH1A1 (0.47) | HTTKDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL2674216 | 0.68 | PDE3B (0.63) | PDE3BPDE3APDE4APDE4BPDE4C | |
| SCHEMBL600199 | 0.67 | NPSR1 (0.55) | HTTALDH1A1HSD17B10HPGDGAA | |
| SCHEMBL9016296 | 0.66 | ALDH1A1 (0.44) | HTTKDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL20414043 | 0.66 | PTGER4 (0.37) | KDM4EALDH1A1HSD17B10HPGDGAA | |
| SCHEMBL4117115 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL5973110 | 0.65 | TAAR1 (0.43) | HTTALDH1A1HPGDGAALMNA | |
| SCHEMBL9432568 | 0.64 | KDM4E (0.44) | KDM4EALDH1A1HPGDGAASMN1; 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 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 |