Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | NEK2 | P51955 | 1/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | KHK | P50053 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.37 |
| ▸ | RORC | P51449 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23320382 | 0.91 | CHEK1 (0.39) | CHEK1AURKACSNK1A1CDK8NEK2 | |
| SCHEMBL23320369 | 0.82 | QPCT (0.39) | CHEK1AURKACSNK1A1CDK8NEK2 | |
| SCHEMBL30323998 | 0.75 | CHEK1 (0.70) | CHEK1AURKACSNK1A1CDK8NEK2 | |
| SCHEMBL23320372 | 0.75 | NAMPT (0.60) | — | |
| SCHEMBL23320352 | 0.64 | NAMPT (0.42) | NPC1MAPTRAB9AKMT2ALMNA | |
| Hydrochloric Acid SCHEMBL23320553 | 0.62 | PKN1 (0.34) | MAPTALDH1A1CYP2C9KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL23320557 | 0.62 | PKN1 (0.34) | KDM4EMAPTALDH1A1CYP2C9KMT2A | |
| SCHEMBL23320487 | 0.61 | LTA4H (0.36) | ALDH1A1AR | |
| SCHEMBL23320564 | 0.61 | NAMPT (0.53) | KDM4ENPC1MAPTRAB9AALDH1A1 | |
| SCHEMBL5751527 | 0.60 | ALDH1A1 (0.57) | HPGDKDM4ERAB9AALDH1A1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3818053-A1 | FUSED RING COMPOUND HAVING UREA STRUCTURE | Sanford Burnham Prebys Medical Discovery Institute (US) | 2021-05-12 | — | — | EP | disclosed |