Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | KDM6B | O15054 | 1/20 | 0.32 |
| ▸ | KDM4A | O75164 | 1/20 | 0.32 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.32 |
| ▸ | KDM3B | Q7LBC6 | 1/20 | 0.32 |
| ▸ | HIF1AN | Q9NWT6 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8823524 | 0.88 | ALDH1A1 (0.36) | ALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL6919860 | 0.83 | PARP1 (0.38) | ALDH1A1HAO1GPR84MAPTPARP1 | |
| SCHEMBL8823569 | 0.73 | ALDH1A1 (0.40) | ALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL6919672 | 0.72 | PARP1 (0.46) | ALDH1A1GPR84PARP1GSK3B | |
| SCHEMBL7716174 | 0.71 | GPR84 (0.35) | ALDH1A1GPR84MAPTPARP1LMNA | |
| SCHEMBL7914214 | 0.71 | PARP1 (0.40) | ALDH1A1GPR84MAPTPARP1GSK3B | |
| SCHEMBL8957092 | 0.70 | ALDH1A1 (0.39) | ALDH1A1GPR84MAPTPARP1GSK3B | |
| SCHEMBL7300490 | 0.70 | HCAR2 (0.44) | ALDH1A1HAO1GPR84PARP1GSK3B | |
| SCHEMBL7501514 | 0.70 | ALDH1A1 (0.42) | ALDH1A1GPR84MAPTPARP1LMNA | |
| SCHEMBL3038066 | 0.69 | PARP1 (0.41) | ALDH1A1GPR84PARP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004074258-A1 | NOVEL SULPHATED IMIDAZOLE DERIVATIVES, METHOD FOR PRODUCTION THEREOF, NOVEL INTERMEDIATES OBTAINED, APPLICATION THEREOF AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE ABOVE | CAILLE JEAN-CLAUDE (FR) | 2004-09-02 | — | — | WO | disclosed |
| EP-0465368-B1 | Sulfur derivatives of imidazole, process for their preparation, intermediates, their use as medicaments, and pharmaceutical compositions containing them | HOECHST MARION ROUSSEL INC (FR) | 1998-05-20 | — | — | EP | disclosed |
| EP-0465368-A1 | Sulfur derivatives of imidazole, process for their preparation, intermediates, their use as medicaments, and pharmaceutical compositions containing them | ROUSSEL UCLAF (FR) | 1992-01-08 | — | — | EP | disclosed |