Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.50 |
| ▸ | ERN1 | O75460 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL32659735 | 0.86 | ALDH1A1 (0.61) | GPR3ERN1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL4264702 | 0.84 | KDM4E (0.47) | GPR3ERN1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL7568434 | 0.82 | TLR8 (0.53) | SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL27999716 | 0.82 | POLB (0.50) | ERN1SMN1; SMN2ALDH1A1HPGDKDM4E | |
| SCHEMBL6489952 | 0.81 | GPR3 (0.53) | GPR3SMN1; SMN2ALDH1A1HPGDKDM4E | |
| Ammonia Solution, Strong SCHEMBL29175740 | 0.81 | GPR3 (0.53) | GPR3SMN1; SMN2ALDH1A1HPGDKDM4E | |
| SCHEMBL32659739 | 0.80 | ERN1 (0.49) | GPR3ERN1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL6489948 | 0.80 | GPR3 (0.52) | GPR3SMN1; SMN2ALDH1A1HPGDKDM4E | |
| SCHEMBL12630087 | 0.80 | SMN1; SMN2 (0.51) | GPR3ERN1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL12955949 | 0.79 | HSD17B10 (0.53) | SMN1; SMN2ALDH1A1HPGDKDM4ECYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6790239-B1 | COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2004-09-14 | — | — | US | disclosed |
| WO-2004067513-A1 | ANTAGONISTS FOR ALPHA-2 ADRENOCEPTORS | OY JUVANTIA PHARMA LTD (FI) | 2004-08-12 | — | — | WO | disclosed |