Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 16/20 | 0.68 |
| ▸ | SLC6A2 | P23975 | 13/20 | 0.68 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27098435 | 0.87 | SLC6A3 (0.69) | SLC6A3SLC6A2RAB9ASLC6A4ALDH1A1 | |
| SCHEMBL27098440 | 0.87 | SLC6A3 (0.69) | SLC6A3SLC6A2RAB9ASLC6A4ALDH1A1 | |
| SCHEMBL27098438 | 0.86 | SLC6A3 (0.81) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL27098434 | 0.86 | SLC6A3 (0.81) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL21271156 | 0.84 | SLC6A3 (0.83) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL4931136 | 0.83 | SLC6A3 (0.81) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL17655795 | 0.82 | SLC6A3 (0.79) | SLC6A3SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL29398571 | 0.82 | SLC6A3 (0.79) | SLC6A3SLC6A2SLC6A4 | |
| .Alpha.-Pyrrolidinononanophenone SCHEMBL4936225 | 0.82 | SLC6A3 (0.79) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL4936204 | 0.81 | SLC6A3 (1.00) | SLC6A3SLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011121055-A1 | PYRIDINYL DERIVATIVES COMPRISING A CYANOGUANIDINE OR SQUARIC ACID MOIETY | TOPOTARGET A/S (DK) | 2011-10-06 | — | — | WO | disclosed |