Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7607540 | 0.81 | GPR3 (0.54) | GPR3ALDH1A1SMN1; SMN2MAOAHPGD | |
| SCHEMBL1919858 | 0.76 | MAOA (0.48) | GPR3ALDH1A1SMN1; SMN2MAOAHPGD | |
| SCHEMBL20011624 | 0.71 | HTR6 (0.50) | ALDH1A1SMN1; SMN2MAOAHPGDHSD17B10 | |
| Benzoylenurea SCHEMBL1752723 | 0.70 | KDM4E (0.45) | GPR3ALDH1A1SMN1; SMN2MAOAHPGD | |
| Benzoylenurea SCHEMBL29460047 | 0.70 | KDM4E (0.45) | GPR3ALDH1A1SMN1; SMN2MAOAHPGD | |
| SCHEMBL851828 | 0.70 | KDM4E (0.44) | GPR3ALDH1A1SMN1; SMN2MAOAHPGD | |
| SCHEMBL311283 | 0.70 | KDM4E (0.44) | GPR3ALDH1A1SMN1; SMN2MAOAHPGD | |
| SCHEMBL31057998 | 0.69 | ALDH1A1 (0.40) | GPR3PARP1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL1864447 | 0.69 | ALDH1A1 (0.40) | GPR3PARP1ALDH1A1HPGDHSD17B10 | |
| Bicarbonate SCHEMBL11185192 | 0.69 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2326645-B9 | COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT | ACRAF (IT) | 2013-04-17 | — | — | EP | disclosed |