Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.65 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | NCF1 | P14598 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7514428 | 0.91 | PRMT6 (0.59) | ALDH1A1PRMT6HTTNCF1ROCK2 | |
| SCHEMBL21178265 | 0.86 | ALDH1A1 (0.68) | ALDH1A1PRMT6HTTKDM4EPOLB | |
| SCHEMBL7761231 | 0.82 | PRMT6 (0.68) | ALDH1A1PRMT6HTTNCF1KDM4E | |
| SCHEMBL5205368 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HTTKDM4EPOLBTSHR | |
| SCHEMBL1552926 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HTTKDM4EPOLBTSHR | |
| SCHEMBL1787570 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HTTKDM4EPOLBTSHR | |
| Methane SCHEMBL7287824 | 0.80 | ALDH1A1 (0.97) | ALDH1A1HTTKDM4EPOLBTSHR | |
| Hydrochloric Acid SCHEMBL5343928 | 0.80 | ALDH1A1 (0.97) | ALDH1A1HTTKDM4EPOLBTSHR | |
| SCHEMBL11183304 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HTTKDM4EPOLBHPGD | |
| SCHEMBL30364132 | 0.80 | PRMT6 (0.93) | ALDH1A1PRMT6NCF1KDM4ESMN1; SMN2 |
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 |