Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | VDR | P11473 | 2/20 | 0.33 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.33 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6967722 | 0.91 | TDP1 (0.34) | IDO1TDP1VDRKCNH2MEN1 | |
| SCHEMBL6970594 | 0.90 | ALDH1A1 (0.40) | IDO1TDP1KDM4EKMT2ALMNA | |
| SCHEMBL6969917 | 0.89 | GRIN1 (0.38) | IDO1TDP1VDRKDM4EKMT2A | |
| SCHEMBL6964826 | 0.88 | VDR (0.36) | TDP1VDRKDM4ENPSR1MEN1 | |
| SCHEMBL6960641 | 0.87 | IDO1 (0.36) | IDO1TDP1PDE4DPDE4BCSNK2A2 | |
| SCHEMBL6960647 | 0.87 | IDO1 (0.36) | IDO1TDP1PDE4DPDE4BCSNK2A2 | |
| SCHEMBL6974042 | 0.86 | TP53 (0.36) | TDP1VDRTERTPOLBNPSR1 | |
| SCHEMBL6966500 | 0.85 | PDE4A (0.39) | TDP1PDE4DPDE4BPOLBKDM4E | |
| SCHEMBL6973903 | 0.85 | GRIN1 (0.38) | TDP1VDRKDM4ENPSR1MEN1 | |
| SCHEMBL6965090 | 0.84 | IDO1 (0.38) | IDO1TDP1PDE4DPDE4BVDR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |