Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CD44 | P16070 | 2/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.36 |
| ▸ | HTR3B | O95264 | 2/20 | 0.36 |
| ▸ | HTR3A | P46098 | 2/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7325776 | 0.82 | ALDH1A1 (0.48) | ALDH1A1KDM4EHTTMAPTSMN1; SMN2 | |
| SCHEMBL7332932 | 0.72 | MTNR1A (0.46) | ALDH1A1CD44HTR3EHTR3BHTR3A | |
| SCHEMBL7326609 | 0.72 | PDE4A (0.41) | KDM4ECD44HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL9730335 | 0.71 | PDE4A (0.41) | KDM4ECD44HTR3EHTR3BHTR3A | |
| SCHEMBL31486626 | 0.70 | HTR2A (0.43) | ALDH1A1CD44HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL7298417 | 0.68 | CASP6 (0.39) | CD44HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL9730401 | 0.67 | HTR3A (0.38) | KDM4ECD44HTR3EHTR3BHTR3A | |
| SCHEMBL7268691 | 0.67 | NPC1 (0.50) | KDM4EHTR3AHTTMAPTL3MBTL1 | |
| SCHEMBL7364339 | 0.66 | HTR3A (0.67) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9879687 | 0.66 | HTR3A (0.52) | ALDH1A1HTR3EHTR3BHTR3AHTR3D |
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 |
|---|---|---|---|---|---|---|---|
| US-5102901-A | 5-hydroxytrypamine receptor antaonists | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1992-04-07 | — | — | US | disclosed |