Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.42 |
| ▸ | CPT1A | P50416 | 3/20 | 0.37 |
| ▸ | CCNC | P24863 | 3/20 | 0.36 |
| ▸ | CDK8 | P49336 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | CPT2 | P23786 | 2/20 | 0.35 |
| ▸ | GFER | P55789 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | YWHAG | P61981 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1465585 | 1.00 | HRH4 (0.42) | HRH4CPT1ACCNCCDK8CYP2A6 | |
| SCHEMBL1465557 | 0.84 | NR1H2 (0.42) | HRH4NPC1 | |
| SCHEMBL13365077 | 0.83 | HRH4 (0.39) | HRH4CPT1ACCNCCDK8CYP2A6 | |
| SCHEMBL2476154 | 0.76 | HRH4 (0.47) | HRH4CYP2A6KEAP1AKR1C3MEN1 | |
| SCHEMBL29587414 | 0.73 | RIPK1 (0.46) | HRH4CPT1ACPT2HRH3 | |
| SCHEMBL12478830 | 0.73 | PPID (0.48) | CCNCCDK8GFERKDM4EMEN1 | |
| SCHEMBL24906160 | 0.71 | KDM4E (0.50) | HRH4CYP2A6KEAP1GFERKDM4E | |
| SCHEMBL1465598 | 0.69 | CYP2A6 (0.52) | HRH4CYP2A6KEAP1GFERKDM4E | |
| SCHEMBL20808203 | 0.69 | CHEK2 (0.46) | HRH4AKR1C3MEN1KMT2ARAB9A | |
| SCHEMBL1466005 | 0.68 | MAPT (0.55) | HRH4KDM4EMEN1MAPTTHRB |
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-3327016-A1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2018-05-30 | — | — | EP | disclosed |