Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CHKA | P35790 | 4/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.40 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.40 |
| ▸ | DDR2 | Q16832 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24728863 | 0.72 | HDAC6 (0.78) | HDAC6HRH3BTKLMNACHKA | |
| SCHEMBL31721218 | 0.70 | CHRM3 (0.61) | HDAC6BTK | |
| SCHEMBL9548868 | 0.69 | ADRB3 (0.39) | LMNAKDM4ENUDT1BACE1 | |
| SCHEMBL31553383 | 0.69 | ALDH1A1 (0.48) | HRH3KDM4EALDH1A1 | |
| SCHEMBL3954239 | 0.69 | HDAC3 (0.52) | LMNACA2KDM4EGAAALDH1A1 | |
| SCHEMBL27785362 | 0.69 | HDAC6 (0.52) | HDAC6HRH3BTKLMNACHKA | |
| SCHEMBL16485458 | 0.69 | CHKA (0.54) | HDAC6CHKACHEK1KDM4E | |
| Hydrochloric Acid SCHEMBL28314241 | 0.68 | HDAC6 (0.51) | HDAC6HRH3BTKLMNACHKA | |
| SCHEMBL6188428 | 0.67 | HDAC6 (0.54) | HDAC6HRH3BTKLMNACHKA | |
| SCHEMBL3953587 | 0.67 | HDAC3 (0.50) | LMNACA2KDM4EGAAALDH1A1 |
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-2077841-A1 | NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | Glaxo Group Limited (GB) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008052934-A1 | NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2008-05-08 | — | — | WO | disclosed |