Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | HRH1 | P35367 | 4/20 | 0.59 |
| ▸ | DRD1 | P21728 | 2/20 | 0.58 |
| ▸ | DRD4 | P21917 | 2/20 | 0.58 |
| ▸ | DRD5 | P21918 | 2/20 | 0.58 |
| ▸ | DRD3 | P35462 | 2/20 | 0.58 |
| ▸ | DRD2 | P14416 | 2/20 | 0.57 |
| ▸ | LTA4H | P09960 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | HTR7 | P34969 | 2/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8911288 | 1.00 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2KDM4EHRH1DRD1 | |
| SCHEMBL8910594 | 0.88 | HRH1 (0.66) | HRH1DRD1DRD4DRD5DRD3 | |
| SCHEMBL8910600 | 0.88 | HRH1 (0.66) | HRH1DRD1DRD4DRD5DRD3 | |
| Hydrochloric Acid SCHEMBL8909022 | 0.87 | HRH1 (0.65) | HRH1DRD1DRD4DRD5DRD3 | |
| Hydrochloric Acid SCHEMBL8909029 | 0.87 | HRH1 (0.65) | HRH1DRD1DRD4DRD5DRD3 | |
| SCHEMBL8872026 | 0.86 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2KDM4EDRD2LTA4H | |
| SCHEMBL8872034 | 0.86 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2KDM4EDRD2LTA4H | |
| SCHEMBL7142341 | 0.86 | LTA4H (0.77) | ALDH1A1KDM4ELTA4HL3MBTL1ATM | |
| SCHEMBL8773759 | 0.86 | LTA4H (0.64) | HRH1DRD1DRD4DRD5DRD3 | |
| SCHEMBL8873782 | 0.85 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2KDM4EDRD2L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5635518-A | TREATING CENTRAL NERVOUS SYSTEM AILMENT RELATED TO 4-AMINOBUTYRIC ACID UPTAKE | NOVO NORDISK A/S (DK) | 1997-06-03 | — | — | US | disclosed |
| EP-0705247-A1 | N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF | NOVO NORDISK A/S (DK) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000485-A1 | N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF | NOVO NORDISK A/S (DK) | 1995-01-05 | — | — | WO | disclosed |