Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.37 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.36 |
| ▸ | TPH1 | P17752 | 1/20 | 0.36 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2578273 | 0.77 | KDM4E (0.38) | BRD4LMNACXCR4KAT6AALKBH1 | |
| SCHEMBL2561403 | 0.75 | LMNA (0.40) | LMNACXCR4EGLN1KDM4ECYP1A2 | |
| SCHEMBL12286883 | 0.74 | LMNA (0.36) | NPC1LMNAEGLN1KDM4E | |
| SCHEMBL30525594 | 0.72 | EGLN1 (0.39) | LMNACXCR4EGLN1KDM4E | |
| SCHEMBL29049498 | 0.72 | EGLN1 (0.39) | LMNACXCR4EGLN1KDM4E | |
| SCHEMBL2561739 | 0.72 | EGLN1 (0.47) | NPC1RAB9ALMNAALKBH1EGLN1 | |
| SCHEMBL2563910 | 0.72 | NPC1 (0.47) | NPC1RAB9AALKBH1KDM4ECYP1A2 | |
| SCHEMBL12287099 | 0.71 | ADORA2A (0.38) | LMNAEGLN1KDM4EHDAC3HDAC1 | |
| SCHEMBL2574725 | 0.71 | ERCC1 (0.42) | EGLN1 | |
| SCHEMBL3408185 | 0.70 | EGLN1 (0.52) | NPC1RAB9ACXCR4EGLN1KDM4E |
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-2560655-A1 | SUBSTITUTED PYRIMIDINES | Merck Sharp & Dohme Corp. (US) | 2013-02-27 | — | — | EP | disclosed |
| WO-2011133444-A1 | SUBSTITUTED PYRIMIDINES | MERCK SHARP & DOHME CORP. (US) | 2011-10-27 | — | — | WO | disclosed |