Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL22335909 | 0.83 | KCNH2 (0.39) | ALDH1A1TSHRFDPSL3MBTL1MAPT | |
| SCHEMBL4981079 | 0.77 | DRD2 (0.33) | ALDH1A1TSHRPDE4BFDPSAOX1 | |
| SCHEMBL9846087 | 0.76 | ALDH1A1 (0.42) | ALDH1A1TSHRPDE4BFDPSAOX1 | |
| SCHEMBL4980644 | 0.76 | ERN1 (0.46) | ALDH1A1TSHRFDPSAOX1ERN1 | |
| SCHEMBL29957113 | 0.74 | ALDH1A1 (0.41) | ALDH1A1TSHRFDPSAOX1L3MBTL1 | |
| SCHEMBL15109671 | 0.74 | RRM2 (0.41) | — | |
| SCHEMBL3464851 | 0.74 | ERN1 (0.43) | ALDH1A1TSHRFDPSAOX1L3MBTL1 | |
| SCHEMBL29844287 | 0.74 | ERN1 (0.43) | ALDH1A1TSHRFDPSAOX1L3MBTL1 | |
| SCHEMBL6743521 | 0.74 | PARP1 (0.36) | ALDH1A1ERN1KDM4ETDP1RAB9A | |
| SCHEMBL13634487 | 0.73 | PDE4B (0.39) | ALDH1A1TSHRPDE4BPDE3APDE4A |
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-0481802-A1 | Hydroxylated inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1992-04-22 | — | — | EP | disclosed |