Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.71 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 5/20 | 0.51 |
| ▸ | DRD4 | P21917 | 5/20 | 0.51 |
| ▸ | DRD3 | P35462 | 5/20 | 0.51 |
| ▸ | DRD1 | P21728 | 2/20 | 0.51 |
| ▸ | DRD5 | P21918 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 4/20 | 0.49 |
| ▸ | MAOA | P21397 | 2/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29444722 | 1.00 | HTR6 (0.71) | HTR6CA2CA5ADRD2DRD4 | |
| SCHEMBL1932581 | 1.00 | HTR6 (0.71) | HTR6CA2CA5ADRD2DRD4 | |
| SCHEMBL7291991 | 0.90 | HTR6 (0.59) | HTR6CA2CA5AMAOBMAOA | |
| SCHEMBL12502781 | 0.90 | HTR6 (0.59) | HTR6CA2CA5AMAOBMAOA | |
| SCHEMBL7312343 | 0.89 | HTR6 (0.66) | HTR6CA2CA5ADRD2DRD4 | |
| SCHEMBL7112912 | 0.89 | HTR6 (0.66) | HTR6CA2CA5ADRD2DRD4 | |
| SCHEMBL7114254 | 0.88 | HTR6 (0.65) | HTR6CA2CA5ADRD2DRD4 | |
| Hydrochloric Acid SCHEMBL7118993 | 0.86 | HTR6 (0.64) | HTR6CA2CA5ADRD2DRD4 | |
| SCHEMBL7112228 | 0.85 | HTR6 (0.62) | HTR6CA2CA5ADRD2DRD4 | |
| SCHEMBL7119070 | 0.85 | HTR6 (0.88) | HTR6DRD2DRD4DRD3DRD1 |
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-5684039-A | Chroman-2-ylmethylamino derivatives | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-11-04 | — | — | US | disclosed |
| US-5670667-A | DOPAMINE INHIBITORS FOR PSYCHOLOGICAL DISORDERS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-09-23 | — | — | US | disclosed |
| US-5541199-A | DOPAMINE MODULATORS, SCHIZOPHRENIA | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-07-30 | — | — | US | disclosed |