Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CNR2 | P34972 | 5/20 | 0.36 |
| ▸ | CNR1 | P21554 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | REN | P00797 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3494532 | 0.79 | HCRTR1 (0.44) | NOTUMALDH1A1CNR2CNR1SMN1; SMN2 | |
| SCHEMBL8236184 | 0.78 | HCRTR1 (0.53) | NOTUMALDH1A1CNR2CNR1HCRTR1 | |
| SCHEMBL13341395 | 0.77 | HCRTR1 (0.42) | NOTUMALDH1A1CNR2CNR1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3494081 | 0.77 | HCRTR1 (0.52) | NOTUMALDH1A1CNR2CNR1HCRTR1 | |
| Hydrochloric Acid SCHEMBL3493030 | 0.76 | HCRTR1 (0.42) | NOTUMALDH1A1CNR2CNR1SMN1; SMN2 | |
| SCHEMBL13341376 | 0.76 | HCRTR1 (0.45) | NOTUMALDH1A1CNR2CNR1SMN1; SMN2 | |
| SCHEMBL8238469 | 0.76 | NOTUM (0.52) | NOTUMALDH1A1REN | |
| SCHEMBL13341399 | 0.75 | ADRB1 (0.44) | NOTUMALDH1A1CNR2CNR1SMN1; SMN2 | |
| SCHEMBL13341400 | 0.75 | ADRB1 (0.44) | NOTUMALDH1A1CNR2CNR1SMN1; SMN2 | |
| SCHEMBL3493823 | 0.75 | HCRTR1 (0.48) | NOTUMALDH1A1HCRTR1HCRTR2CYP3A4 |
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-1984355-A2 | CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION | Takeda Pharmaceutical Company Limited (JP) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007094513-A2 | CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-23 | — | — | WO | disclosed |