Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12397401 | 0.84 | CA2 (0.36) | DYRK1ACA12CA2 | |
| SCHEMBL762259 | 0.81 | CYP2A6 (0.35) | CYP2A6DYRK1A | |
| SCHEMBL762098 | 0.81 | CYP2A6 (0.35) | CYP2A6DYRK1A | |
| SCHEMBL14234599 | 0.77 | GRM5 (0.41) | CYP2A6CA12CA2 | |
| SCHEMBL761756 | 0.77 | CYP2A6 (0.33) | CYP2A6DYRK1ACA12CA2 | |
| SCHEMBL762100 | 0.77 | CYP2A6 (0.33) | CYP2A6DYRK1A | |
| SCHEMBL762102 | 0.77 | CYP2A6 (0.33) | CYP2A6DYRK1A | |
| SCHEMBL648632 | 0.77 | DYRK1A (0.33) | CYP2A6DYRK1A | |
| SCHEMBL18810010 | 0.77 | CA2 (0.36) | CYP2A6CA12CA2 | |
| SCHEMBL650203 | 0.77 | DYRK1A (0.33) | CYP2A6DYRK1A |
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-20130161568-A1 | Anthra[2,3-b:7,6-b']dithiophene Derivatives and their Use as Organic Semiconductors | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-06-27 | — | — | US | disclosed |