Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | PPIB | P23284 | 1/20 | 0.40 |
| ▸ | PPIA | P62937 | 1/20 | 0.40 |
| ▸ | PPID | Q08752 | 1/20 | 0.40 |
| ▸ | PPIG | Q13427 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.38 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4015584 | 0.80 | ALDH1A1 (0.50) | TSHRHPGDKDM4EALDH1A1HSD17B10 | |
| SCHEMBL16370682 | 0.79 | TSHR (0.47) | TSHRCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8781871 | 0.76 | SKP2 (0.46) | HSD17B10SMN1; SMN2GAA | |
| SCHEMBL10583583 | 0.75 | SLC6A2 (0.40) | CFTR | |
| SCHEMBL5050117 | 0.75 | CFTR (0.52) | CFTRALDH1A1POLBMEN1ALOX15 | |
| SCHEMBL12737467 | 0.75 | TAAR1 (0.40) | CYP1A2SMN1; SMN2 | |
| SCHEMBL9778558 | 0.75 | GAA (0.47) | TSHRHPGDKDM4EALDH1A1HSD17B10 | |
| SCHEMBL2858938 | 0.74 | CYP2C9 (0.46) | TSHRCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1724603 | 0.74 | TSHR (0.50) | TSHRCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16199761 | 0.73 | SKP2 (0.39) | — |
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-1773816-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006002421-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-05 | — | — | WO | disclosed |