Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | TFEB | P19484 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30025604 | 1.00 | NR1H3 (0.44) | NR1H3NFE2L2TRPA1MIFTFEB | |
| SCHEMBL28898569 | 1.00 | NR1H3 (0.44) | NR1H3NFE2L2TRPA1MIFTFEB | |
| SCHEMBL28898584 | 0.83 | NR1H2 (0.40) | NR1H3CYP1A2KDM4EPTGS2ALDH1A1 | |
| SCHEMBL30024906 | 0.83 | NR1H2 (0.40) | NR1H3CYP1A2KDM4EPTGS2ALDH1A1 | |
| SCHEMBL28898577 | 0.83 | NR1H2 (0.40) | NR1H3CYP1A2KDM4EPTGS2ALDH1A1 | |
| SCHEMBL30025407 | 0.80 | HSD11B1 (0.37) | NPC1BCHERAB9AMEN1KMT2A | |
| SCHEMBL28898553 | 0.80 | MAPT (0.38) | NFE2L2CYP1A1CYP1A2CYP1B1KDM4E | |
| SCHEMBL30025843 | 0.80 | MAPT (0.38) | NFE2L2CYP1A1CYP1A2CYP1B1KDM4E | |
| SCHEMBL28898556 | 0.80 | MAPT (0.38) | NFE2L2CYP1A1CYP1A2CYP1B1KDM4E | |
| SCHEMBL28898552 | 0.80 | HSD11B1 (0.37) | NPC1BCHERAB9AMEN1KMT2A |
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-109336845-B | Optically active cyclopentane-3-imine and its derivative and preparation method | 西华师范大学 | 2022-11-01 | — | — | CN | claimed |
| CN-109336845-B | Optically active cyclopentane-3-imine and its derivative and preparation method | 西华师范大学 | 2022-11-01 | — | — | CN | disclosed |