Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.37 |
| ▸ | HSP90B1 | P14625 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7995803 | 0.88 | SCN9A (0.44) | — | |
| SCHEMBL7995439 | 0.76 | KDM4E (0.49) | ALDH1A1KDM4EHPGDSMN1; SMN2NPC1 | |
| SCHEMBL7997358 | 0.75 | MEN1 (0.46) | ALDH1A1KDM4EHPGDSMN1; SMN2NPC1 | |
| SCHEMBL7984848 | 0.74 | SCN9A (0.43) | ALDH1A1KDM4EHPGDMTNR1AMTNR1B | |
| SCHEMBL7995808 | 0.72 | OPRD1 (0.33) | HSP90AA1HSP90B1 | |
| SCHEMBL7983840 | 0.72 | KLKB1 (0.38) | ALDH1A1KDM4EHPGDSMN1; SMN2NPC1 | |
| SCHEMBL7998135 | 0.71 | HSP90AA1 (0.39) | ALDH1A1HSP90AA1HSP90B1KDM4ESMN1; SMN2 | |
| SCHEMBL7998436 | 0.70 | CYP3A4 (0.42) | ALDH1A1HSP90AA1HSP90B1KDM4ESMN1; SMN2 | |
| SCHEMBL7984853 | 0.69 | SCN9A (0.46) | — | |
| SCHEMBL7996308 | 0.69 | NPSR1 (0.50) | HSP90AA1HSP90B1SMN1; SMN2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001034578-A1 | COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY | ASTRAZENECA AB (SE) | 2001-05-17 | — | — | WO | disclosed |