Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6965090 | 0.88 | IDO1 (0.38) | ALDH1A1MAPTVDRHTTKDM4E | |
| SCHEMBL7082707 | 0.87 | GRIN1 (0.38) | ALDH1A1VDRHTTLMNAS1PR3 | |
| SCHEMBL6972397 | 0.87 | KCNH2 (0.34) | VDRHTTFLT1KDRS1PR3 | |
| SCHEMBL6971756 | 0.86 | S1PR3 (0.32) | VDRS1PR3KMT2AMEN1 | |
| SCHEMBL7081207 | 0.83 | ALDH1A1 (0.40) | ALDH1A1MAPTNPSR1VDRHTT | |
| SCHEMBL6964826 | 0.82 | VDR (0.36) | ALDH1A1MAPTNPSR1VDRKDM4E | |
| SCHEMBL6973406 | 0.81 | KDM4E (0.36) | ALDH1A1MAPTKDM4EFLT1KDR | |
| SCHEMBL6973201 | 0.81 | KDM4E (0.36) | ALDH1A1MAPTKDM4EFLT1KDR | |
| SCHEMBL7079123 | 0.77 | MEN1 (0.37) | ALDH1A1MAPTKDM4ES1PR3KMT2A | |
| SCHEMBL6973949 | 0.76 | MAPT (0.39) | ALDH1A1MAPTNPSR1HTTKDM4E |
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 2 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 |