Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28541573 | 0.81 | ALDH1A1 (0.41) | LMNAMAPK1KDM1A | |
| SCHEMBL28534273 | 0.81 | ALDH1A1 (0.41) | LMNAMAPK1KDM1A | |
| SCHEMBL28537781 | 0.80 | HSD11B1 (0.44) | SLC6A3SLC6A4SSTR1SSTR4 | |
| SCHEMBL28546864 | 0.71 | MEN1 (0.44) | NPC1RAB9AKMT2AMEN1MAPK1 | |
| Methyl Alcohol SCHEMBL8945235 | 0.66 | TRPA1 (0.48) | TRPA1LMNASLC6A3SLC6A4EPHX1 | |
| Methyl Alcohol SCHEMBL8945244 | 0.66 | TRPA1 (0.48) | TRPA1LMNASLC6A3SLC6A4EPHX1 | |
| Methyl Alcohol SCHEMBL8945240 | 0.66 | TRPA1 (0.48) | TRPA1LMNASLC6A3SLC6A4EPHX1 | |
| SCHEMBL28960982 | 0.66 | GRIN2D (0.51) | LMNASLC6A4KMT2AMEN1MAPK1 | |
| Methyl Alcohol SCHEMBL8781534 | 0.65 | TRPA1 (0.38) | TRPA1LMNAPOLBSSTR1SSTR4 | |
| SCHEMBL9485827 | 0.64 | TRPA1 (0.38) | TRPA1LMNASLC6A4POLBSSTR1 |
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-112522329-B | Preparation method of optically pure 2, 2-disubstituted-1, 3-cyclopentanediol | 中国科学院天津工业生物技术研究所 | 2021-10-08 | — | — | CN | disclosed |
| CN-112522329-A | Preparation method of optically pure 2, 2-disubstituted-1, 3-cyclopentanediol | 中国科学院天津工业生物技术研究所 | 2021-03-19 | — | — | CN | disclosed |