Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.53 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.53 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | EP300 | Q09472 | 1/20 | 0.47 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17536047 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CYP2C9CYP2C19HCRTR1HCRTR2 | |
| SCHEMBL13865068 | 0.83 | ALDH1A1 (0.59) | ALDH1A1CYP2C9CYP2C19HCRTR1HCRTR2 | |
| SCHEMBL13865067 | 0.81 | HCRTR1 (0.62) | ALDH1A1CYP2C9CYP2C19HCRTR1HCRTR2 | |
| SCHEMBL845006 | 0.80 | KCNH2 (0.41) | ALDH1A1CYP2C9CYP2C19HCRTR1HCRTR2 | |
| SCHEMBL17536097 | 0.79 | KMT2A (0.41) | ALDH1A1LMNAGAANPC1POLB | |
| SCHEMBL4799610 | 0.78 | ALDH1A1 (0.64) | ALDH1A1CYP2C9CYP2C19PABPC1MAPK1 | |
| SCHEMBL4799596 | 0.78 | ALDH1A1 (0.64) | ALDH1A1CYP2C9CYP2C19PABPC1MAPK1 | |
| SCHEMBL16602533 | 0.78 | ALDH1A1 (0.59) | ALDH1A1CYP2C9CYP2C19HCRTR1HCRTR2 | |
| Bromide SCHEMBL11429498 | 0.77 | ALDH1A1 (0.58) | ALDH1A1CYP2C9CYP2C19PABPC1MAPK1 | |
| SCHEMBL27627515 | 0.77 | ALDH1A1 (0.79) | ALDH1A1CYP2C9CYP2C19MAPK1HTT |
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-2628481-B1 | Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV | ABBVIE BAHAMAS LTD (BS) | 2016-02-24 | — | — | EP | disclosed |