Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.37 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL114699 | 0.84 | CYP11B1 (0.43) | CYP2A6CYP2B6CYP2E1CYP11B2CYP11B1 | |
| SCHEMBL12917647 | 0.78 | MKNK1 (0.51) | CNR1DYRK1ADYRK1BCYP1A2 | |
| SCHEMBL12496644 | 0.77 | HRH3 (0.56) | CYP2A6CYP2B6CYP2E1CYP11B2CYP3A4 | |
| SCHEMBL9158239 | 0.77 | CYP2A6 (0.47) | CYP2A6CYP2B6CYP2E1CNR1CHRM5 | |
| SCHEMBL9156751 | 0.77 | CYP2A6 (0.47) | CYP2A6CYP2B6CYP2E1CNR1CHRM5 | |
| SCHEMBL3392101 | 0.77 | HRH3 (0.43) | — | |
| SCHEMBL26104326 | 0.77 | CYP2A6 (0.64) | CYP2A6CYP2B6CYP2E1CYP11B2CYP3A4 | |
| SCHEMBL17423600 | 0.76 | MAOB (0.48) | — | |
| Hydrochloric Acid SCHEMBL21352581 | 0.75 | HRH3 (0.41) | CYP1A2 | |
| SCHEMBL6851863 | 0.74 | HDAC4 (0.40) | CYP3A4MAPT |
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-2411057-A2 | IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS | Siemens Medical Solutions USA, Inc. (US) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010111303-A2 | IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS | SIEMENS MEDICAL SOLUTIONS USA, INC. (US) | 2010-09-30 | — | — | WO | disclosed |