Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TYRO3 | Q06418 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6528788 | 0.89 | CTSK (0.43) | CTSK | |
| SCHEMBL6531499 | 0.85 | PDPK1 (0.45) | RAB9ARCE1ALDH1A1CTSKKDM4E | |
| SCHEMBL6530478 | 0.84 | CTSK (0.43) | CTSK | |
| SCHEMBL6530634 | 0.83 | CTSK (0.45) | SMN1; SMN2ALDH1A1CTSKHPGD | |
| SCHEMBL6528746 | 0.82 | CTSK (0.44) | CTSKKMT2A | |
| SCHEMBL6532662 | 0.81 | CTSK (0.42) | ATMALDH1A1CTSKHPGDL3MBTL1 | |
| SCHEMBL6528931 | 0.81 | KCNH3 (0.41) | SMN1; SMN2ALDH1A1CTSKL3MBTL1KMT2A | |
| SCHEMBL6508192 | 0.81 | KCNH3 (0.41) | ALDH1A1CTSKMAPK1L3MBTL1KMT2A | |
| SCHEMBL6508189 | 0.81 | KCNH3 (0.41) | ALDH1A1CTSKMAPK1L3MBTL1KMT2A | |
| SCHEMBL6528847 | 0.81 | SYK (0.43) | ALDH1A1CTSKL3MBTL1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005082884-A2 | 2-PYRIDIN-2YL-PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF GASTRO-ESOPHAGEA L REFLUX DISEASE | ASTRAZENECA AB (SE) | 2005-09-09 | — | — | WO | disclosed |
| WO-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | disclosed |