Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1980228 | 0.84 | HRH4 (0.47) | HRH4AKR1C3GRIN2DGRIN3BGRIN1 | |
| SCHEMBL1466005 | 0.82 | MAPT (0.55) | HRH4MEN1KMT2A | |
| SCHEMBL1465598 | 0.81 | CYP2A6 (0.52) | HRH4CYP2A6KEAP1MEN1KMT2A | |
| SCHEMBL24906160 | 0.77 | KDM4E (0.50) | HRH4CYP2A6KEAP1MEN1KMT2A | |
| SCHEMBL25340536 | 0.76 | HRH4 (0.47) | HRH4GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL1465585 | 0.76 | HRH4 (0.42) | HRH4CYP2A6KEAP1AKR1C3MEN1 | |
| SCHEMBL20183150 | 0.76 | HRH4 (0.42) | HRH4CYP2A6KEAP1AKR1C3MEN1 | |
| SCHEMBL31198852 | 0.74 | CDK9 (0.33) | MEN1KMT2ACYP51A1HRH3RBP4 | |
| SCHEMBL1121919 | 0.73 | HTR1D (0.68) | HTR1DHTR1B | |
| SCHEMBL26683798 | 0.71 | DDB1 (0.41) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2362874-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2011-09-07 | — | — | EP | disclosed |
| WO-2010054138-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 2010-05-14 | — | — | WO | disclosed |