Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | GCK | P35557 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | VCP | P55072 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATP4A | P20648 | 1/20 | 0.32 |
| ▸ | ATP4B | P51164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL8562572 | 0.86 | ALDH1A1 (0.38) | ALDH1A1TSHRSMN1; SMN2GCKL3MBTL1 | |
| SCHEMBL8567515 | 0.86 | VCP (0.41) | ALDH1A1TSHRSMN1; SMN2HTTSTAT3 | |
| SCHEMBL9050612 | 0.86 | ALDH1A1 (0.40) | ALDH1A1TSHRSMN1; SMN2HTTSTAT3 | |
| SCHEMBL8562834 | 0.85 | ALDH1A1 (0.44) | ALDH1A1TSHRSMN1; SMN2HTTSTAT3 | |
| SCHEMBL8567357 | 0.82 | ALDH1A1 (0.38) | ALDH1A1TSHRSMN1; SMN2L3MBTL1CYP2C9 | |
| Hydrochloric Acid SCHEMBL8563542 | 0.81 | ALDH1A1 (0.39) | ALDH1A1TSHRSMN1; SMN2HTTGCK | |
| SCHEMBL8567153 | 0.80 | CSNK1D (0.42) | ALDH1A1TSHRSMN1; SMN2L3MBTL1POLB | |
| Nitric Acid SCHEMBL8566793 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TSHRSMN1; SMN2L3MBTL1POLB | |
| SCHEMBL8560120 | 0.75 | ALDH1A1 (0.38) | ALDH1A1TSHRSMN1; SMN2GCKL3MBTL1 | |
| SCHEMBL9051616 | 0.74 | ALDH1A1 (0.40) | ALDH1A1TSHRL3MBTL1CYP2C9CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0552060-B1 | Imidazole derivatives having anti-HIV activity | SHIONOGI & CO (JP) | 1998-11-18 | — | — | EP | disclosed |
| EP-0700911-A1 | Imidazole derivatives having anti-HIV activity | SHIONOGI & CO., LTD. (JP) | 1996-03-13 | — | — | EP | disclosed |
| US-5472965-A | Useful for treatment of retrovirus infections; less toxic | SHIONOGI & CO., LTD. (JP) | 1995-12-05 | — | — | US | disclosed |
| US-5326780-A | Acquired immunodeficiency syndrome | SHIONOGI & CO., LTD. (JP) | 1994-07-05 | — | — | US | disclosed |
| EP-0552060-A1 | Imidazole derivatives having anti-HIV activity | SHIONOGI & CO., LTD. (JP) | 1993-07-21 | — | — | EP | disclosed |