Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 5/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | GCGR | P47871 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
| ▸ | CCND2 | P30279 | 1/20 | 0.31 |
| ▸ | CCND3 | P30281 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7080639 | 0.89 | ALDH1A1 (0.32) | ALDH1A1LMNAMAPT | |
| SCHEMBL7078897 | 0.88 | TP53 (0.38) | SLC6A9ALDH1A1NPSR1LMNAL3MBTL1 | |
| SCHEMBL6960619 | 0.87 | MEN1 (0.37) | ALDH1A1TSHRMAPTTP53TDP1 | |
| SCHEMBL6963163 | 0.86 | GRIN1 (0.36) | SLC6A9ALDH1A1LMNATP53CYP1A2 | |
| SCHEMBL6973465 | 0.86 | SLC6A9 (0.35) | SLC6A9ALDH1A1NPSR1LMNAL3MBTL1 | |
| SCHEMBL6973156 | 0.85 | S1PR3 (0.38) | SLC6A9MAPT | |
| SCHEMBL6962497 | 0.84 | GRIN1 (0.39) | ALDH1A1PKMLMNAMAPT | |
| SCHEMBL7084512 | 0.84 | IRAK4 (0.38) | ALDH1A1NPSR1PKMLMNAMAPT | |
| SCHEMBL6974491 | 0.84 | MEN1 (0.37) | SLC6A9DHODHALDH1A1CA2CA4 | |
| SCHEMBL8800250 | 0.84 | SLC6A9 (0.34) | SLC6A9DHODHALDH1A1NPSR1CA2 |
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 |