Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | PCNA | P12004 | 1/20 | 0.54 |
| ▸ | LIG1 | P18858 | 1/20 | 0.54 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 4/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | ABAT | P80404 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL148531 | 0.98 | TAAR1 (0.61) | TAAR1SLC6A2PCNALIG1SLC7A5 | |
| SCHEMBL2992550 | 0.98 | TAAR1 (0.61) | TAAR1SLC6A2PCNALIG1SLC7A5 | |
| SCHEMBL80783 | 0.98 | TAAR1 (0.61) | TAAR1SLC6A2PCNALIG1SLC7A5 | |
| Hydrochloric Acid SCHEMBL1168215 | 0.95 | TAAR1 (0.59) | TAAR1SLC6A2PCNALIG1SLC7A5 | |
| Hydrochloric Acid SCHEMBL1168213 | 0.95 | TAAR1 (0.59) | TAAR1SLC6A2PCNALIG1SLC7A5 | |
| Iodide SCHEMBL9393026 | 0.95 | TAAR1 (0.59) | TAAR1SLC6A2PCNALIG1SLC7A5 | |
| Biphenyl SCHEMBL7890864 | 0.86 | EPHX1 (0.52) | TAAR1SLC6A2PCNALIG1SLC7A5 | |
| SCHEMBL2617270 | 0.83 | TAAR1 (0.61) | TAAR1SLC6A2PCNALIG1SLC7A5 | |
| SCHEMBL8503457 | 0.82 | OPRK1 (0.62) | TAAR1SLC6A2SLC7A5OPRK1ESR1 | |
| SCHEMBL22153161 | 0.82 | OPRK1 (0.62) | TAAR1SLC6A2SLC7A5OPRK1ESR1 |
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-2011011865-A1 | ANTICANCER AGENTS BASED ON AMINO ACID DERIVATIVES | 3R VALO, S.E.C. (CA) | 2011-02-03 | — | — | WO | disclosed |