Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL8562834 | 0.87 | ALDH1A1 (0.44) | ALDH1A1TSHRCYP2C9CYP2C19VCP | |
| SCHEMBL8567515 | 0.75 | VCP (0.41) | ALDH1A1TSHRCYP2C9CYP2C19VCP | |
| SCHEMBL9050612 | 0.75 | ALDH1A1 (0.40) | ALDH1A1TSHRCYP2C9CYP2C19VCP | |
| SCHEMBL8568227 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TSHRCYP2C9CYP2C19VCP | |
| SCHEMBL8562572 | 0.73 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2C9CYP2C19VCP | |
| SCHEMBL8560120 | 0.72 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2C9CYP2C19VCP | |
| Hydrochloric Acid SCHEMBL8563542 | 0.70 | ALDH1A1 (0.39) | ALDH1A1TSHRCYP2C9CYP2C19VCP | |
| SCHEMBL8567357 | 0.69 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL8567153 | 0.68 | CSNK1D (0.42) | ALDH1A1TSHRMAPK1LMNAL3MBTL1 | |
| SCHEMBL8536161 | 0.68 | ALDH1A1 (0.43) | ALDH1A1TSHRVCPUSP2MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |