Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | HTR3A | P46098 | 3/20 | 0.55 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.55 |
| ▸ | HTR3B | O95264 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.55 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.55 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | HTR1A | P08908 | 4/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27494769 | 0.99 | HRH3 (0.60) | HRH3KDM4EALDH1A1HTR3AHTR3E | |
| SCHEMBL6231596 | 0.89 | HRH3 (0.68) | HRH3KDM4EALDH1A1HTR3AHTR3E | |
| SCHEMBL6229963 | 0.88 | HRH3 (0.63) | HRH3KDM4EALDH1A1HTR3AHTR3E | |
| Bromide SCHEMBL6232431 | 0.86 | HRH3 (0.62) | HRH3KDM4EALDH1A1HTR3AHTR3E | |
| SCHEMBL6232468 | 0.86 | HRH3 (0.66) | HRH3KDM4EALDH1A1HTR3AHTR3E | |
| SCHEMBL6229177 | 0.86 | HRH3 (0.62) | HRH3KDM4EALDH1A1HTR3AHTR3E | |
| SCHEMBL6228769 | 0.86 | HRH3 (0.70) | HRH3KDM4EALDH1A1HTR3AHTR3E | |
| Hydrochloric Acid SCHEMBL6234227 | 0.85 | HRH3 (0.64) | HRH3KDM4EALDH1A1HTR3AHTR3E | |
| SCHEMBL6229805 | 0.83 | CASP1 (0.58) | HRH3KDM4EALDH1A1HTR3AHTR3E | |
| SCHEMBL6230285 | 0.83 | HRH3 (0.61) | HRH3KDM4EALDH1A1HTR3AHTR3E |
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 |
|---|---|---|---|---|---|---|---|
| CN-1283195-A | 1-(2-naphthyl) and 1(2-azanaphthyl)-4-(1-phenylmethyl)piperazines being dopamine D4 receptor subtype ligands | NEUROGEN CORP (US) | 2001-02-07 | — | — | CN | claimed |