Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 11/20 | 0.67 |
| ▸ | DRD2 | P14416 | 5/20 | 0.57 |
| ▸ | HTR1A | P08908 | 4/20 | 0.57 |
| ▸ | HTR6 | P50406 | 4/20 | 0.57 |
| ▸ | HTR2A | P28223 | 3/20 | 0.57 |
| ▸ | HTR7 | P34969 | 3/20 | 0.57 |
| ▸ | DRD3 | P35462 | 3/20 | 0.55 |
| ▸ | DRD4 | P21917 | 2/20 | 0.55 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.54 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | FYN | P06241 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
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 SCHEMBL5807965 | 0.99 | KDM1A (0.65) | KDM1ADRD2HTR1AHTR6HTR2A | |
| SCHEMBL5805249 | 0.93 | KDM1A (0.60) | KDM1ADRD2HTR1AHTR6HTR2A | |
| Hydrochloric Acid SCHEMBL5805853 | 0.92 | KDM1A (0.59) | KDM1ADRD2HTR1AHTR6HTR2A | |
| Hydrochloric Acid SCHEMBL5809408 | 0.90 | KDM1A (0.62) | KDM1ADRD2HTR1AHTR6HTR2A | |
| SCHEMBL5821612 | 0.89 | KDM1A (0.53) | KDM1ADRD2HTR1AHTR6HTR2A | |
| SCHEMBL5804945 | 0.88 | KDM1A (0.67) | KDM1ADRD2HTR1AHTR7DRD3 | |
| Hydrochloric Acid SCHEMBL5821923 | 0.88 | KDM1A (0.52) | KDM1ADRD2HTR1AHTR6HTR2A | |
| Hydrochloric Acid SCHEMBL5808276 | 0.87 | KDM1A (0.66) | KDM1ADRD2HTR1AHTR7DRD3 | |
| SCHEMBL5809272 | 0.85 | KDM1A (0.63) | KDM1ADRD2HTR1AHTR6HTR2A | |
| Hydrochloric Acid SCHEMBL5809295 | 0.84 | KDM1A (0.62) | KDM1ADRD2HTR1AHTR6HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006117760-A1 | ADRENERGIC RECEPTOR ANTAGONISTS | RANBAXY LABORATORIES LIMITED (IN) | 2006-11-09 | — | — | WO | disclosed |