Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK2 | Q05397 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 5/20 | 0.36 |
| ▸ | CSNK2A2 | P19784 | 4/20 | 0.36 |
| ▸ | CSNK2B | P67870 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | KDM3B | Q7LBC6 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 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 | |
|---|---|---|---|---|
| SCHEMBL1663484 | 0.90 | PTK2 (0.46) | PTK2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL6952749 | 0.86 | KDM4E (0.45) | PTK2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL6164988 | 0.79 | KDM4E (0.41) | KDM4EALDH1A1HPGDHSD17B10CSNK2A1 | |
| SCHEMBL6948324 | 0.79 | KDM4E (0.39) | PTK2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL394742 | 0.78 | KDM4E (0.49) | KDM4EALDH1A1HSD17B10CYP1A2L3MBTL1 | |
| SCHEMBL7394232 | 0.78 | ALDH1A1 (0.39) | PTK2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL2114253 | 0.76 | KDM4E (0.45) | KDM4EALDH1A1HPGDHSD17B10CSNK2A1 | |
| SCHEMBL6304807 | 0.74 | TSHR (0.52) | PTK2ALDH1A1L3MBTL1TSHR | |
| SCHEMBL18463875 | 0.73 | PTK2 (0.37) | PTK2L3MBTL1TSHR | |
| SCHEMBL11393685 | 0.73 | ALPL (0.37) | KDM4EALDH1A1HPGDHSD17B10CSNK2A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-2252299-A1 | FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2010-11-24 | — | — | EP | disclosed |
| WO-2009102588-A1 | FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK & CO., INC. (US) | 2009-08-20 | — | — | WO | disclosed |