Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.54 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.54 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL16602515 | 0.88 | CYP2C9 (0.60) | ALDH1A1CYP2C9CYP2C19NPC1HCRTR1 | |
| SCHEMBL15196649 | 0.88 | CYP2C9 (0.60) | ALDH1A1CYP2C9CYP2C19NPC1HCRTR1 | |
| SCHEMBL4799610 | 0.82 | ALDH1A1 (0.64) | ALDH1A1CYP2C9CYP2C19NPC1FKBP1A | |
| SCHEMBL4799596 | 0.82 | ALDH1A1 (0.64) | ALDH1A1CYP2C9CYP2C19NPC1FKBP1A | |
| SCHEMBL13865068 | 0.82 | ALDH1A1 (0.59) | ALDH1A1CYP2C9CYP2C19NPC1HCRTR1 | |
| SCHEMBL13865067 | 0.82 | HCRTR1 (0.62) | ALDH1A1CYP2C9CYP2C19NPC1HCRTR1 | |
| SCHEMBL27627515 | 0.81 | ALDH1A1 (0.79) | ALDH1A1CYP2C9CYP2C19NPC1FKBP1A | |
| SCHEMBL31722815 | 0.79 | ALDH1A1 (0.60) | ALDH1A1CYP2C9CYP2C19FKBP1AHTT | |
| SCHEMBL17536099 | 0.78 | ALDH1A1 (0.55) | ALDH1A1CYP2C9CYP2C19NPC1HCRTR1 | |
| SCHEMBL17536047 | 0.78 | ALDH1A1 (0.55) | ALDH1A1CYP2C9CYP2C19NPC1HCRTR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2853531-A2 | Antiviral compounds | AbbVie Bahamas Ltd. (BS) | 2015-04-01 | — | — | EP | disclosed |