Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | SERPINH1 | P50454 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 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 | |
|---|---|---|---|---|
| SCHEMBL2033015 | 0.91 | ASIC3 (0.43) | DYRK1AASIC3PARP1SERPINH1NPC1 | |
| SCHEMBL1721764 | 0.84 | MAPT (0.36) | DYRK1ANPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL1684444 | 0.81 | CA2 (0.61) | ENPP2CA1CA2SERPINH1NPC1 | |
| SCHEMBL8090460 | 0.76 | ASIC3 (0.60) | DYRK1AASIC3PARP1NPC1ALDH1A1 | |
| SCHEMBL14457583 | 0.71 | CA1 (0.44) | ENPP2CA1CA2SERPINH1NPC1 | |
| SCHEMBL3628069 | 0.65 | NPC1 (0.61) | DYRK1APARP1NPC1ALDH1A1RAB9A | |
| SCHEMBL28832985 | 0.65 | CA2 (0.86) | ENPP2CA1CA2NPC1RAB9A | |
| SCHEMBL257917 | 0.65 | CA2 (0.86) | ENPP2CA1CA2NPC1RAB9A | |
| SCHEMBL1723482 | 0.65 | ALDH1A1 (0.43) | DYRK1AASIC3NPC1ALDH1A1RAB9A | |
| SCHEMBL13235087 | 0.64 | LTA4H (0.60) | ALDH1A1SMN1; SMN2MAPTKDM4EMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2395002-B1 | PHARMACEUTICAL COMPOSITION CONTAINING A HETEROCYCLIC MODULATOR OF ATP-BINDING CASSETTE TRANSPORTERS. | VERTEX PHARMA (US) | 2014-06-18 | — | — | EP | disclosed |
| EP-2404919-B1 | Heterocyclic compound useful as a modulator of ATP-binding cassette transporters. | VERTEX PHARMA (US) | 2013-08-21 | — | — | EP | disclosed |
| EP-2404919-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. | Vertex Pharmaceuticals Incorporated (US) | 2012-01-11 | — | — | EP | disclosed |