Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 1/20 | 0.58 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.58 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 3/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | LARS1 | Q9P2J5 | 1/20 | 0.45 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31702343 | 1.00 | SLC1A3 (0.58) | SLC1A3SLC1A2SLC1A1L3MBTL1MEN1 | |
| SCHEMBL811050 | 1.00 | SLC1A3 (0.58) | SLC1A3SLC1A2SLC1A1L3MBTL1MEN1 | |
| SCHEMBL27621675 | 1.00 | SLC1A3 (0.58) | SLC1A3SLC1A2SLC1A1L3MBTL1MEN1 | |
| SCHEMBL6227872 | 1.00 | SLC1A3 (0.58) | SLC1A3SLC1A2SLC1A1L3MBTL1MEN1 | |
| SCHEMBL27602983 | 1.00 | SLC1A3 (0.58) | SLC1A3SLC1A2SLC1A1L3MBTL1MEN1 | |
| Benzene SCHEMBL4853957 | 0.99 | SLC1A3 (0.56) | SLC1A3SLC1A2SLC1A1L3MBTL1MEN1 | |
| Benzene SCHEMBL4855262 | 0.99 | SLC1A3 (0.56) | SLC1A3SLC1A2SLC1A1L3MBTL1MEN1 | |
| Hexamethylbenzene SCHEMBL4865465 | 0.94 | SLC1A3 (0.52) | SLC1A3SLC1A2SLC1A1L3MBTL1MEN1 | |
| Hexamethylbenzene SCHEMBL4865260 | 0.94 | SLC1A3 (0.52) | SLC1A3SLC1A2SLC1A1L3MBTL1MEN1 | |
| SCHEMBL4865237 | 0.92 | SLC1A3 (0.51) | SLC1A3SLC1A2SLC1A1L3MBTL1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4201926-A1 | NOVEL INTERMEDIATE, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF | Sichuan University (CN) | 2023-06-28 | — | — | EP | disclosed |
| WO-2022127321-A1 | NOVEL INTERMEDIATE, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF | 四川大学 | 2022-06-23 | — | — | WO | disclosed |
| EP-1512678-A1 | Process for preparing optically active nitro compounds and cyano compounds | Kanto Kagaku Kabushiki Kaisha (JP) | 2005-03-09 | — | — | EP | disclosed |