Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12000933 | 0.81 | CYP3A4 (0.36) | MAPTLMNACYP3A4ALDH1A1POLB | |
| SCHEMBL10290571 | 0.76 | LMNA (0.33) | MAPTLMNACYP3A4ALDH1A1 | |
| SCHEMBL7413097 | 0.73 | KDM4E (0.48) | MAPTCYP3A4MEN1ALDH1A1THRB | |
| SCHEMBL7607737 | 0.73 | ALDH1A1 (0.40) | MAPTLMNACYP3A4MEN1ALDH1A1 | |
| SCHEMBL11683175 | 0.73 | MAPT (0.41) | MAPTCYP3A4MEN1APAF1ALDH1A1 | |
| SCHEMBL12631248 | 0.72 | LMNA (0.30) | MAPTLMNACYP3A4 | |
| SCHEMBL10290619 | 0.72 | CFTR (0.36) | MAPTLMNACYP3A4CA12CA1 | |
| SCHEMBL12292486 | 0.72 | PRKDC (0.42) | LMNA | |
| SCHEMBL29501763 | 0.71 | ALOX15 (0.40) | MAPTCYP3A4MEN1APAF1ALDH1A1 | |
| SCHEMBL1134914 | 0.71 | ALOX15 (0.40) | MAPTCYP3A4MEN1APAF1ALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2532650-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-12-12 | — | — | EP | disclosed |
| EP-2530075-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-12-05 | — | — | EP | disclosed |
| EP-2522659-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-11-14 | — | — | EP | disclosed |
| EP-2502902-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502913-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502912-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502911-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2502914-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2489659-A1 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-08-22 | — | — | EP | disclosed |
| WO-2007075946-A1 | COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-07-05 | — | — | WO | disclosed |