Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.74 |
| ▸ | HTR4 | Q13639 | 5/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.74 |
| ▸ | LMNA | P02545 | 4/20 | 0.74 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.74 |
| ▸ | DRD3 | P35462 | 3/20 | 0.74 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.74 |
| ▸ | HTR3A | P46098 | 2/20 | 0.74 |
| ▸ | DRD2 | P14416 | 2/20 | 0.74 |
| ▸ | HTR2B | P41595 | 2/20 | 0.74 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.74 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.74 |
| ▸ | HTR3B | O95264 | 1/20 | 0.74 |
| ▸ | MPO | P05164 | 1/20 | 0.74 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.74 |
| ▸ | DRD4 | P21917 | 1/20 | 0.74 |
| ▸ | HTR2A | P28223 | 1/20 | 0.74 |
| ▸ | HTR2C | P28335 | 1/20 | 0.74 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.74 |
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 | |
|---|---|---|---|---|
| SCHEMBL9777123 | 0.91 | CYP2D6 (0.74) | CYP2D6HTR4CYP1A2ALDH1A1LMNA | |
| SCHEMBL9777134 | 0.90 | HTR4 (0.76) | CYP2D6HTR4CYP1A2ALDH1A1LMNA | |
| SCHEMBL9777097 | 0.90 | HTR4 (0.76) | CYP2D6HTR4CYP1A2ALDH1A1LMNA | |
| SCHEMBL9777166 | 0.90 | HTR4 (0.76) | CYP2D6HTR4CYP1A2ALDH1A1LMNA | |
| SCHEMBL9777127 | 0.90 | HTR4 (0.79) | CYP2D6HTR4CYP1A2ALDH1A1LMNA | |
| SCHEMBL5158047 | 0.89 | HTR4 (0.80) | CYP2D6HTR4CYP1A2ALDH1A1LMNA | |
| SCHEMBL9777276 | 0.89 | CYP2D6 (0.70) | CYP2D6HTR4CYP1A2ALDH1A1LMNA | |
| SCHEMBL10549146 | 0.89 | CYP2D6 (0.70) | CYP2D6HTR4CYP1A2ALDH1A1LMNA | |
| SCHEMBL9777111 | 0.88 | HTR4 (0.72) | CYP2D6HTR4CYP1A2ALDH1A1LMNA | |
| SCHEMBL9777118 | 0.88 | CYP2D6 (0.69) | CYP2D6HTR4CYP1A2ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0529395-A2 | Benzamide multidrug resistance reversing agents | Bristol-Myers Squibb Company (US) | 1993-03-03 | — | — | EP | disclosed |