Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.45 |
| ▸ | DRD2 | P14416 | 5/20 | 0.43 |
| ▸ | DRD4 | P21917 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 3/20 | 0.42 |
| ▸ | HTR2C | P28335 | 3/20 | 0.42 |
| ▸ | HTR2B | P41595 | 3/20 | 0.42 |
| ▸ | HRH1 | P35367 | 3/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.42 |
| ▸ | DRD1 | P21728 | 2/20 | 0.42 |
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 SCHEMBL11400430 | 0.98 | HRH4 (0.44) | HRH4DRD2DRD4CYP1A2TP53 | |
| SCHEMBL7674579 | 0.93 | DRD2 (0.47) | HRH4DRD2DRD4CYP1A2TP53 | |
| SCHEMBL11246209 | 0.82 | HRH1 (0.40) | HRH4DRD2DRD4CYP1A2TP53 | |
| SCHEMBL7675085 | 0.80 | CCR1 (0.41) | DRD2CYP2D6HTR2AHTR1AHTR6 | |
| SCHEMBL11248154 | 0.79 | SLC6A2 (0.42) | HRH4DRD2DRD4CYP1A2TP53 | |
| Hydrochloric Acid SCHEMBL11401870 | 0.79 | AHR (0.40) | CYP1A2CYP3A4CYP2D6HTR2AHTR2C | |
| SCHEMBL11248897 | 0.78 | HRH1 (0.56) | HRH4DRD2DRD4CYP1A2TP53 | |
| SCHEMBL7675250 | 0.77 | HTR2C (0.51) | DRD2DRD4CYP1A2TP53CYP3A4 | |
| SCHEMBL11245536 | 0.77 | HRH1 (0.42) | HRH4DRD2DRD4CYP1A2TP53 | |
| Bromide SCHEMBL11473841 | 0.77 | HRH1 (0.56) | HRH4DRD2DRD4CYP1A2TP53 |
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-6387893-B1 | ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA | MERCK & CO., INC. | 2002-05-14 | — | — | US | disclosed |