Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 2/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6379469 | 1.00 | SLC1A3 (0.42) | SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19 | |
| SCHEMBL227684 | 0.88 | TSHR (0.48) | SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19 | |
| SCHEMBL11221440 | 0.88 | TSHR (0.48) | SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19 | |
| SCHEMBL28072228 | 0.85 | SLC1A3 (0.40) | SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19 | |
| SCHEMBL7332107 | 0.82 | TRPA1 (0.47) | SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19 | |
| SCHEMBL7332119 | 0.82 | TRPA1 (0.47) | SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19 | |
| SCHEMBL24525033 | 0.81 | SLC1A3 (0.42) | SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19 | |
| SCHEMBL11563306 | 0.81 | SLC1A3 (0.42) | SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19 | |
| SCHEMBL24525034 | 0.81 | SLC1A3 (0.42) | SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19 | |
| SCHEMBL24337770 | 0.81 | SLC1A3 (0.42) | SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19 |
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-107141188-B | Asymmetric ring opening method and application of 3-substituted oxetane | 香港科技大学深圳研究院 | 2021-05-28 | — | — | CN | disclosed |