Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8165088 | 0.88 | ADRB3 (0.40) | ALDH1A1MEN1KMT2AADRB2CYP2D6 | |
| SCHEMBL8166640 | 0.88 | ALDH1A1 (0.53) | ALDH1A1LMNAKEAP1NFE2L2KMT2A | |
| Hydrochloric Acid SCHEMBL8159978 | 0.88 | SLC6A2 (0.40) | ALDH1A1MEN1KMT2AADRB2CYP2D6 | |
| SCHEMBL8169018 | 0.83 | ADRB2 (0.47) | ALDH1A1MAPTADRB2ADRB3 | |
| SCHEMBL6862114 | 0.82 | CASR (0.61) | ALDH1A1ADRB2CYP2D6ADRB3SLC6A2 | |
| SCHEMBL6862107 | 0.82 | CASR (0.61) | ALDH1A1ADRB2CYP2D6ADRB3SLC6A2 | |
| Hydrochloric Acid SCHEMBL7802320 | 0.82 | CASR (0.60) | ALDH1A1ADRB2CYP2D6ADRB3SLC6A2 | |
| Hydrochloric Acid SCHEMBL6863037 | 0.82 | CASR (0.60) | ALDH1A1ADRB2CYP2D6ADRB3SLC6A2 | |
| SCHEMBL7563669 | 0.81 | CASR (0.48) | ALDH1A1KEAP1NFE2L2ADRB2CYP2D6 | |
| SCHEMBL8169408 | 0.80 | KEAP1 (0.45) | ALDH1A1MAPTLMNAKEAP1NFE2L2 |
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-0973730-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998045255-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-10-15 | — | — | WO | disclosed |