Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7082911 | 0.91 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2CYP1A2CYP2D6MAPT | |
| SCHEMBL6969739 | 0.90 | POLB (0.38) | ALDH1A1CYP1A2MAPTNPC1TP53 | |
| SCHEMBL7084143 | 0.90 | S1PR3 (0.41) | ALDH1A1SMN1; SMN2MAPTNTRK1KMT2A | |
| SCHEMBL6973222 | 0.90 | S1PR3 (0.41) | ALDH1A1NTRK1S1PR3 | |
| SCHEMBL6973437 | 0.90 | MEN1 (0.40) | ALDH1A1NPC1L3MBTL1TP53NTRK1 | |
| SCHEMBL6972789 | 0.88 | HRH3 (0.35) | ALDH1A1SMN1; SMN2CYP1A2CYP2D6MAPT | |
| SCHEMBL6961923 | 0.87 | CYP1A2 (0.44) | ALDH1A1CYP1A2MAPTL3MBTL1KDM4E | |
| SCHEMBL6963974 | 0.85 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2CYP1A2NPC1L3MBTL1 | |
| SCHEMBL7084491 | 0.85 | CYP1A2 (0.40) | ALDH1A1SMN1; SMN2CYP1A2TSHRNPC1 | |
| SCHEMBL7077261 | 0.85 | POLB (0.35) | ALDH1A1L3MBTL1POLBCA2CA4 |
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 |