Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4744231 | 0.85 | SIGMAR1 (0.61) | SIGMAR1CYP2D6TAAR1SLC6A2MAOA | |
| SCHEMBL4091905 | 0.85 | TAAR1 (0.59) | SIGMAR1CYP2D6TAAR1SLC6A2MAOA | |
| SCHEMBL23387949 | 0.81 | CYP2D6 (0.50) | SIGMAR1CYP2D6TAAR1SLC6A2MAOA | |
| SCHEMBL2499040 | 0.78 | SIGMAR1 (0.61) | SIGMAR1CYP2D6TAAR1SLC6A2MAOA | |
| SCHEMBL18032935 | 0.76 | SIGMAR1 (0.59) | SIGMAR1CYP2D6TAAR1SLC6A2MAOA | |
| N-Benzylamphetamine SCHEMBL2795222 | 0.76 | SIGMAR1 (1.00) | SIGMAR1CYP2D6TAAR1SLC18A2POLB | |
| N-Benzylamphetamine SCHEMBL2798189 | 0.76 | SIGMAR1 (1.00) | SIGMAR1CYP2D6TAAR1SLC18A2POLB | |
| N-Benzylamphetamine SCHEMBL2451256 | 0.76 | SIGMAR1 (1.00) | SIGMAR1CYP2D6TAAR1SLC18A2POLB | |
| SCHEMBL6447512 | 0.76 | BCHE (0.48) | SIGMAR1TAAR1SLC6A2MAOASLC6A4 | |
| Hydrochloric Acid SCHEMBL6446345 | 0.75 | BCHE (0.47) | SIGMAR1EPHX1BCHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2155676-A2 | COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS | Commissariat à l'Energie Atomique (FR) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008146172-A2 | COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2008-12-04 | — | — | WO | disclosed |