Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | AGER | Q15109 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23043559 | 0.85 | LTA4H (0.40) | TSHRHSP90AA1KDM4EL3MBTL1KCNH2 | |
| SCHEMBL7408576 | 0.80 | CYP2D6 (0.42) | TSHRHSP90AA1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2872636 | 0.79 | HSP90AA1 (0.60) | HSP90AA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10434937 | 0.78 | TSHR (0.44) | TSHRAGERL3MBTL1POLBALDH1A1 | |
| Hydrochloric Acid SCHEMBL10611283 | 0.78 | HSP90AA1 (0.58) | HSP90AA1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6965768 | 0.77 | DUT (0.38) | TSHRHSP90AA1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3856118 | 0.77 | ESR1 (0.50) | TSHRCYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL6988187 | 0.76 | POLB (0.49) | HSP90AA1POLBALDH1A1HTTNPC1 | |
| SCHEMBL27411421 | 0.76 | TDP1 (0.41) | TSHRCYP1A2CYP2D6CYP2C19KDM4E | |
| SCHEMBL6970946 | 0.75 | TSHR (0.40) | TSHRKDM4EL3MBTL1POLBALDH1A1 |
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 6 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 |
| CN-1093535-C | Imidazole derivative | SHIONOGI & CO (JP) | 2002-10-30 | — | — | CN | 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 |
| CN-1158609-A | Imidazole derivative | SHIONOGI & CO (JP) | 1997-09-03 | — | — | CN | disclosed |
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |