Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 2/20 | 0.41 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL29170862 | 0.96 | CYP2D6 (0.46) | CYP3A4CYP2D6TSHRCHRM3USP2 | |
| SCHEMBL28322502 | 0.83 | CYP2D6 (0.48) | CYP3A4CYP2D6TSHRCHRM3USP2 | |
| SCHEMBL28936361 | 0.81 | MGLL (0.47) | CYP3A4CYP2D6TSHRUSP2CYP2C19 | |
| SCHEMBL28705661 | 0.80 | MGLL (0.65) | CYP2D6MGLL | |
| SCHEMBL20179998 | 0.78 | CYP3A4 (0.56) | CYP3A4CYP2D6TSHRUSP2CYP2C19 | |
| SCHEMBL19262510 | 0.77 | CYP2D6 (0.72) | CYP3A4CYP2D6TSHRCHRM3USP2 | |
| SCHEMBL27586950 | 0.77 | KMT2A (0.47) | MEN1KMT2A | |
| SCHEMBL29560940 | 0.76 | CYP2D6 (0.52) | CYP3A4CYP2D6TSHRCHRM3USP2 | |
| SCHEMBL20137096 | 0.76 | CYP2D6 (0.52) | CYP3A4CYP2D6TSHRCHRM3USP2 | |
| SCHEMBL20676125 | 0.76 | CYP2D6 (0.70) | CYP3A4CYP2D6TSHRCHRM3USP2 |
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-110267963-B | MAGL inhibitors | H.隆德贝克有限公司 | 2022-04-01 | — | — | CN | disclosed |