Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HSP90B1 | P14625 | 3/20 | 0.33 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL7082703 | 0.91 | KCNH2 (0.34) | KCNH2HSP90B1TRAP1TDP1PIM1 | |
| SCHEMBL6967360 | 0.90 | IDO1 (0.36) | KCNH2TDP1PIM1PIM3TYMS | |
| SCHEMBL6968716 | 0.90 | TDP1 (0.42) | KCNH2HSP90B1TRAP1TDP1MEN1 | |
| SCHEMBL14439807 | 0.90 | KCNH2 (0.38) | KCNH2HSP90B1TRAP1TDP1HTT | |
| SCHEMBL5852651 | 0.89 | KCNH2 (0.35) | KCNH2HSP90B1TRAP1TDP1PIM1 | |
| SCHEMBL14439809 | 0.89 | KCNH2 (0.35) | KCNH2HSP90B1TRAP1TDP1HTT | |
| SCHEMBL6957238 | 0.89 | GABRA5 (0.36) | TDP1KMT2A | |
| SCHEMBL7083358 | 0.88 | KCNK13 (0.32) | KCNH2TYMS | |
| SCHEMBL6960591 | 0.87 | PIM1 (0.33) | KCNH2HSP90B1TRAP1TDP1PIM1 | |
| SCHEMBL7084120 | 0.87 | KCNH2 (0.34) | KCNH2HSP90B1TRAP1TDP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20070190523-A1 | Method and compositions for identifying anti-hiv therapeutic compounds | GILEAD SCIENCES, INC. | 2007-08-16 | — | — | US | disclosed |
| US-20070190523-A1 | Method and compositions for identifying anti-hiv therapeutic compounds | GILEAD SCIENCES, INC. | 2007-08-16 | — | — | US | disclosed |
| 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 |