Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 4/20 | 0.42 |
| ▸ | KCNK13 | Q9HB14 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL20853006 | 0.88 | CCR2 (0.54) | ALDH1A1CCR2HPGDKDM4EGAA | |
| SCHEMBL30229333 | 0.85 | CCR2 (0.46) | ALDH1A1MAPTCCR2KCNK13HPGD | |
| SCHEMBL18247771 | 0.85 | CCR2 (0.46) | ALDH1A1MAPTCCR2KCNK13HPGD | |
| SCHEMBL20853252 | 0.85 | SRC (0.47) | ALDH1A1CCR2HPGDKDM4EGAA | |
| SCHEMBL20937290 | 0.84 | CCR2 (0.56) | ALDH1A1CCR2KDM4EHTTESR1 | |
| SCHEMBL20853230 | 0.80 | PPARG (0.46) | ALDH1A1CCR2HPGDKDM4EGAA | |
| SCHEMBL18258225 | 0.77 | KCNK13 (0.47) | ALDH1A1MAPTCCR2KCNK13HPGD | |
| SCHEMBL20853219 | 0.77 | HDAC1 (0.57) | ALDH1A1MAPTCCR2KCNK13HPGD | |
| SCHEMBL20853323 | 0.74 | CA12 (0.39) | ALDH1A1MAPTHPGDKDM4EGAA | |
| SCHEMBL20853004 | 0.73 | L3MBTL1 (0.50) | ALDH1A1MAPTHPGDKDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019058393-A1 | HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS | JUBILANT BIOSYS LIMITED (IN) | 2019-03-28 | — | — | WO | disclosed |