Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 6/20 | 0.63 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.59 |
| ▸ | PNMT | P11086 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.48 |
| ▸ | HTR3B | O95264 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28565719 | 0.82 | TAAR1 (0.58) | IDO1TAAR1PNMTSLC6A2SLC6A4 | |
| SCHEMBL3088437 | 0.78 | TAAR1 (0.54) | IDO1TAAR1PNMTSLC6A2SLC6A4 | |
| SCHEMBL2092714 | 0.78 | TAAR1 (0.54) | IDO1TAAR1PNMTSLC6A2SLC6A4 | |
| SCHEMBL6740216 | 0.78 | TAAR1 (0.71) | IDO1TAAR1PNMTSLC6A2SLC6A4 | |
| SCHEMBL9366433 | 0.77 | IDO1 (1.00) | IDO1TAAR1PNMT | |
| Hydrochloric Acid SCHEMBL1715494 | 0.76 | IDO1 (1.00) | IDO1TAAR1PNMTMAOB | |
| SCHEMBL28301170 | 0.75 | KCNA3 (0.52) | IDO1TAAR1PNMTSLC6A2SLC6A4 | |
| SCHEMBL1821613 | 0.75 | TAAR1 (0.50) | IDO1TAAR1PNMTSLC6A2SLC6A4 | |
| SCHEMBL11587237 | 0.75 | PKM (0.55) | IDO1TAAR1PNMTSLC6A2SLC6A4 | |
| SCHEMBL266281 | 0.75 | TAAR1 (1.00) | IDO1TAAR1PNMTSLC6A2SLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109776374-A | The pyrrolidine derivative and application thereof that acyl group replaces | 广东东阳光药业有限公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-109776373-A | The pyrrolidine derivative and application thereof that amide replaces | 广东东阳光药业有限公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-109734712-A | The pyrrolidine derivative and application thereof that aryl or heteroaryl replace | 广东东阳光药业有限公司 | 2019-05-10 | — | — | CN | disclosed |