Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.72 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.72 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.72 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.72 |
| ▸ | MAPT | P10636 | 1/20 | 0.72 |
| ▸ | MAOA | P21397 | 1/20 | 0.72 |
| ▸ | SCN1A | P35498 | 1/20 | 0.72 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.72 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.72 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| Theracys SCHEMBL367470 | 0.94 | KCNH2 (0.80) | KCNH2SLC6A2SLC6A4SLC6A3MAPT | |
| Theracys SCHEMBL328884 | 0.94 | KCNH2 (0.80) | KCNH2SLC6A2SLC6A4SLC6A3MAPT | |
| Theracys SCHEMBL116803 | 0.94 | KCNH2 (0.80) | KCNH2SLC6A2SLC6A4SLC6A3MAPT | |
| Theracys SCHEMBL13196454 | 0.94 | KCNH2 (0.80) | KCNH2SLC6A2SLC6A4SLC6A3MAPT | |
| Theracys SCHEMBL16922152 | 0.94 | KCNH2 (0.80) | KCNH2SLC6A2SLC6A4SLC6A3MAPT | |
| Theracys SCHEMBL18648964 | 0.94 | KCNH2 (0.80) | KCNH2SLC6A2SLC6A4SLC6A3MAPT | |
| Theracys SCHEMBL328885 | 0.94 | KCNH2 (0.80) | KCNH2SLC6A2SLC6A4SLC6A3MAPT | |
| Theracys SCHEMBL6716416 | 0.93 | SLC6A2 (0.80) | KCNH2SLC6A2SLC6A4SLC6A3MAPT | |
| Theracys SCHEMBL11415956 | 0.93 | KCNH2 (0.78) | KCNH2SLC6A2SLC6A4SLC6A3MAPT | |
| Cocaine SCHEMBL8050369 | 0.88 | KCNH2 (0.93) | KCNH2SLC6A2SLC6A4SLC6A3MAPT |
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-5525613-A | Covalently coupled benzoylecgonine ecgonine and ecgonidine | ENTROPIN, INC. (US) | 1996-06-11 | — | — | US | disclosed |