Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | ACP1 | P24666 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18610032 | 0.94 | CASR (0.41) | ADORA3ADORA2AADORA2BMAOBADORA1 | |
| SCHEMBL18584441 | 0.88 | PPARG (0.37) | HSD17B1ADORA3ADORA2AADORA2BMAOB | |
| SCHEMBL18609946 | 0.88 | PPARG (0.37) | HSD17B1ADORA3ADORA2AADORA2BMAOB | |
| SCHEMBL18610031 | 0.85 | CASR (0.38) | ADORA3ADORA2AADORA2BMAOBADORA1 | |
| SCHEMBL18609804 | 0.80 | PPARG (0.38) | HSD17B1ADORA3ADORA2AADORA2BMAOB | |
| SCHEMBL16540407 | 0.79 | HSD17B1 (0.36) | HSD17B1ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL18610128 | 0.79 | SMN1; SMN2 (0.42) | ADORA3ADORA2AADORA2BMAOBADORA1 | |
| SCHEMBL16548134 | 0.78 | PPARG (0.37) | HSD17B1CD274MAPTALDH1A1CASR | |
| SCHEMBL17939844 | 0.78 | PPARG (0.37) | HSD17B1CD274MAPTALDH1A1CASR | |
| SCHEMBL18610127 | 0.74 | LMNA (0.42) | MAPTCASRMEN1KMT2AACP1 |
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-2017037616-A1 | ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS | LUPIN LIMITED (IN) | 2017-03-09 | — | — | WO | disclosed |