Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6964951 | 0.91 | ALDH1A1 (0.32) | ALDH1A1POLBMAPK1P2RX3 | |
| SCHEMBL6957642 | 0.90 | ALDH1A1 (0.34) | ALDH1A1POLBMAPK1 | |
| SCHEMBL6973336 | 0.89 | ALDH1A1 (0.32) | ALDH1A1POLBMAPK1EPHX1 | |
| SCHEMBL6967638 | 0.89 | TDP1 (0.39) | ALDH1A1POLBP2RX3TDP1 | |
| SCHEMBL6965901 | 0.87 | RAB9A (0.35) | TDP1 | |
| SCHEMBL6972846 | 0.86 | P2RX3 (0.34) | ALDH1A1P2RX3TDP1 | |
| SCHEMBL6962617 | 0.86 | P2RX3 (0.35) | P2RX3 | |
| SCHEMBL6960543 | 0.86 | GCGR (0.33) | ALDH1A1TDP1 | |
| SCHEMBL14001658 | 0.85 | P2RX3 (0.35) | P2RX3TDP1 | |
| SCHEMBL6966022 | 0.85 | ADRA1D (0.36) | ALDH1A1MAPK1P2RX3 |
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-0786455-B1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| US-6147097-A | METHOD FOR TREATING AIDS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| US-5910506-A | IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC | SHIONOGI & CO., LTD. (JP) | 1999-06-08 | — | — | US | disclosed |
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |