Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.44 |
| ▸ | IDO1 | P14902 | 5/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 4/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27429867 | 0.82 | IDO1 (0.43) | TAAR1IDO1PNMTHTTSLC6A2 | |
| SCHEMBL17093342 | 0.81 | TAAR1 (0.44) | TAAR1IDO1PNMTHTTDPP4 | |
| SCHEMBL15538409 | 0.81 | TAAR1 (0.44) | TAAR1IDO1PNMTHTTDPP4 | |
| SCHEMBL248653 | 0.78 | TAAR1 (0.54) | TAAR1IDO1PNMTHTTSLC6A2 | |
| SCHEMBL11457798 | 0.78 | TAAR1 (0.54) | TAAR1IDO1PNMTHTTSLC6A2 | |
| SCHEMBL9661580 | 0.78 | TAAR1 (0.48) | TAAR1IDO1PNMTHTTSLC6A2 | |
| SCHEMBL9661585 | 0.78 | TAAR1 (0.48) | TAAR1IDO1PNMTHTTSLC6A2 | |
| SCHEMBL7983452 | 0.77 | TAAR1 (0.44) | TAAR1IDO1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10580854 | 0.77 | HSPA5 (0.45) | TAAR1IDO1CYP2D6 | |
| SCHEMBL28364956 | 0.76 | TAAR1 (0.37) | TAAR1IDO1PNMTHTTSLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110563535-B | Method for synthesizing 1, 2-disubstituted olefin compound by alkyne alkylation | 浙江工业大学 | 2022-03-18 | — | — | CN | disclosed |
| CN-110563535-A | method for synthesizing 1, 2-disubstituted olefin compound by alkyne alkylation | 浙江工业大学 | 2019-12-13 | — | — | CN | disclosed |