Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 3/20 | 0.38 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 5/20 | 0.37 |
| ▸ | PPARA | Q07869 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28525548 | 0.81 | FFAR1 (0.56) | KMT2ACYP3A4FFAR1PPARGPPARA | |
| SCHEMBL27513518 | 0.72 | THRB (0.49) | LMNACYP2D6CYP2C19KMT2ACYP1A2 | |
| SCHEMBL28504363 | 0.72 | FFAR1 (0.41) | LMNAMEN1KMT2AFFAR1 | |
| SCHEMBL28710453 | 0.69 | ESR1 (0.37) | MEN1KMT2A | |
| SCHEMBL11121476 | 0.68 | GRIK1 (0.42) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| SCHEMBL29033270 | 0.68 | KDM4E (0.31) | CYP2C9CYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL27522725 | 0.67 | TSHR (0.51) | CYP2C9CYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL27318433 | 0.66 | KMT2A (0.54) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| SCHEMBL7520859 | 0.65 | ALDH1A1 (0.48) | CYP2C9LMNACYP2C19MEN1KMT2A | |
| SCHEMBL5356165 | 0.65 | MEN1 (0.46) | GABBR2GABBR1CYP2C9LMNACYP2D6 |
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-111689887-B | Copper/iridium concerted catalysis asymmetric allylation/2-aza-Cope rearrangement reaction and application thereof | 武汉大学 | 2022-04-01 | — | — | CN | disclosed |
| CN-111689887-A | Copper/iridium concerted catalysis asymmetric allylation/2-aza-Cope rearrangement reaction and application thereof | 武汉大学 | 2020-09-22 | — | — | CN | disclosed |