Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.59 |
| ▸ | RAB9A | P51151 | 7/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | ILK | Q13418 | 4/20 | 0.56 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.52 |
| ▸ | APP | P05067 | 2/20 | 0.51 |
| ▸ | MMP9 | P14780 | 1/20 | 0.51 |
| ▸ | MMP8 | P22894 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL12469888 | 0.79 | IRAK4 (0.52) | NPC1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL142037 | 0.76 | APP (0.59) | MAPTGAAILKAPP | |
| SCHEMBL2749129 | 0.76 | NPC1 (0.66) | NPC1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL231307 | 0.75 | KDM4E (0.75) | NPC1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL914476 | 0.75 | KDM4E (1.00) | NPC1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL29437945 | 0.75 | KDM4E (1.00) | NPC1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL2388376 | 0.75 | KDM4E (0.55) | NPC1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL16481672 | 0.75 | IRAK4 (0.57) | NPC1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL30945398 | 0.74 | RAB9A (0.60) | NPC1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL12854008 | 0.74 | KDM4E (0.72) | NPC1RAB9AKDM4EMEN1KMT2A |
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-2408769-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | Glaxo Group Limited (GB) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010106016-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | GLAXO GROUP LIMITED (GB) | 2010-09-23 | — | — | WO | disclosed |