Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 7/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14845720 | 0.89 | CFTR (0.42) | CFTRNR1I2HSD17B10KDM4EMEN1 | |
| SCHEMBL14845741 | 0.85 | CFTR (0.41) | CFTRNR1I2KDM4EMEN1KMT2A | |
| SCHEMBL14845739 | 0.77 | CFTR (0.38) | CFTRNR1I2KMT2ANPSR1TP53 | |
| SCHEMBL14845744 | 0.77 | CFTR (0.39) | CFTRKDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL15096107 | 0.76 | NR1I2 (0.43) | CFTRNR1I2HDAC10HDAC6MAPT | |
| SCHEMBL14845743 | 0.75 | CFTR (0.39) | CFTRCYP1A2CYP3A4CYP2C9NPSR1 | |
| SCHEMBL17484540 | 0.74 | HSD17B10 (0.49) | HSD17B10KDM4EMEN1KMT2ACYP1A2 | |
| SCHEMBL12745363 | 0.73 | NR1I2 (0.43) | CFTRNR1I2HDAC10HDAC6MAPT | |
| SCHEMBL12745368 | 0.72 | NR1I2 (0.42) | CFTRNR1I2HDAC10HDAC6MAPT | |
| SCHEMBL23278438 | 0.72 | CFTR (0.42) | CFTRNR1I2HDAC10HDAC6 |
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-2010054138-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 2010-05-14 | — | — | WO | disclosed |