Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | LTA4H | P09960 | 2/20 | 0.55 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | AGXT | P21549 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | MIF | P14174 | 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 | |
|---|---|---|---|---|
| 3-Methoxyphenylacetonitrile SCHEMBL7135147 | 0.96 | LTA4H (0.62) | PKMLTA4HPBRM1IDO1FLT3 | |
| 3-Methoxyphenylacetonitrile SCHEMBL103029 | 0.96 | PKM (0.61) | PKMLTA4HIDO1FLT3CA12 | |
| 3-Methoxyphenylacetonitrile SCHEMBL27728444 | 0.94 | PKM (0.59) | PKMLTA4HIDO1FLT3CA12 | |
| 3-Methoxyphenylacetonitrile SCHEMBL29253102 | 0.94 | PKM (0.59) | PKMLTA4HIDO1FLT3CA12 | |
| SCHEMBL5004118 | 0.90 | FLT3 (0.57) | PKMLTA4HIDO1FLT3CA12 | |
| SCHEMBL8992958 | 0.90 | LTA4H (0.59) | PKMLTA4HIDO1FLT3CA12 | |
| SCHEMBL20879574 | 0.86 | ACHE (0.50) | PKMLTA4HIDO1FLT3ALDH1A1 | |
| SCHEMBL6933353 | 0.85 | PKM (0.52) | PKMLTA4HIDO1FLT3CA12 | |
| SCHEMBL3520397 | 0.85 | APP (0.61) | PKMIDO1ALDH1A1AGXTMAOB | |
| 3-Methoxyphenylacetonitrile SCHEMBL754486 | 0.82 | PKM (0.49) | PKMLTA4HIDO1FLT3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104447582-B | Tetraphernl pyrazine small molecule derivative, tetraphernl pyrazine polymer and gathering induced luminescence material | 浙江大学 | 2017-07-07 | — | — | CN | disclosed |