Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28181744 | 0.85 | ALDH1A1 (0.51) | ALDH1A1HPGDSMN1; SMN2KDM4EHTT | |
| SCHEMBL20953798 | 0.85 | ALDH1A1 (0.41) | ALDH1A1HPGDRAB9ASMN1; SMN2HTT | |
| SCHEMBL20953796 | 0.82 | SMN1; SMN2 (0.45) | ALDH1A1HPGDRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL15201032 | 0.81 | CYP3A4 (0.36) | ALDH1A1RAB9ASMN1; SMN2KDM4EHTT | |
| SCHEMBL15202027 | 0.79 | MAPT (0.50) | ALDH1A1RAB9ASMN1; SMN2HTTMAPT | |
| SCHEMBL15201260 | 0.78 | NAMPT (0.52) | — | |
| SCHEMBL13461742 | 0.76 | HTT (0.47) | ALDH1A1HPGDRAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL15202096 | 0.76 | ALDH1A1 (0.50) | ALDH1A1HPGDRAB9ASMN1; SMN2HTT | |
| SCHEMBL3369458 | 0.75 | HTT (0.55) | HPGDRAB9ASMN1; SMN2MAPK1HTT | |
| SCHEMBL15201354 | 0.75 | LTA4H (0.49) | ALDH1A1HPGDRAB9ASMN1; SMN2MAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104093709-B | It is used as the imidazole derivative of aldosterone synthase inhibitors | 霍夫曼-拉罗奇有限公司 | 2017-09-22 | — | — | CN | disclosed |