Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.55 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 9/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1746756 | 0.88 | FFAR1 (0.58) | FFAR1FFAR4 | |
| SCHEMBL8980215 | 0.88 | P4HTM (0.47) | KDM4ENPC1RAB9ATDP1L3MBTL1 | |
| SCHEMBL411192 | 0.86 | NPC1 (0.50) | KDM4ENPC1RAB9ATDP1L3MBTL1 | |
| SCHEMBL414036 | 0.84 | NPC1 (0.58) | KDM4ENPC1RAB9ATDP1L3MBTL1 | |
| SCHEMBL27658101 | 0.82 | KDM4E (0.44) | KDM4ENPC1RAB9ATDP1L3MBTL1 | |
| SCHEMBL20563305 | 0.81 | NPC1 (0.51) | KDM4ENPC1RAB9ATDP1L3MBTL1 | |
| SCHEMBL5871324 | 0.80 | NPC1 (0.49) | KDM4ENPC1RAB9ATDP1L3MBTL1 | |
| SCHEMBL360535 | 0.78 | NPC1 (0.46) | KDM4ENPC1RAB9ATDP1L3MBTL1 | |
| SCHEMBL15286656 | 0.77 | NPC1 (0.54) | KDM4ENPC1RAB9ATDP1L3MBTL1 | |
| SCHEMBL5539650 | 0.77 | NPC1 (0.45) | KDM4ENPC1RAB9ATDP1L3MBTL1 |
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 |