Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.55 |
| ▸ | PNMT | P11086 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3609070 | 0.84 | TAAR1 (0.48) | TAAR1PNMTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3609066 | 0.84 | TAAR1 (0.48) | TAAR1PNMTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9406726 | 0.83 | TAAR1 (0.55) | TAAR1PNMTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9917315 | 0.79 | TAAR1 (0.54) | TAAR1PNMTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12215701 | 0.76 | TAAR1 (0.52) | TAAR1PNMTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11460625 | 0.76 | TAAR1 (0.50) | TAAR1PNMTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5981842 | 0.73 | TAAR1 (0.48) | TAAR1SLC6A2AOC3CYP1A2CYP3A4 | |
| SCHEMBL29351771 | 0.72 | TAAR1 (1.00) | TAAR1PNMTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL266281 | 0.72 | TAAR1 (1.00) | TAAR1PNMTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7771765 | 0.71 | TAAR1 (0.46) | TAAR1PNMTSLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |