Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 6/20 | 0.38 |
| ▸ | TACR1 | P25103 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28994340 | 0.81 | MGLL (0.40) | MGLLTACR1CYP2D6TSHRUSP2 | |
| SCHEMBL20769556 | 0.77 | MGLL (0.61) | MGLL | |
| SCHEMBL29532670 | 0.77 | MGLL (0.61) | MGLL | |
| SCHEMBL2374489 | 0.77 | TACR1 (0.47) | TACR1CYP2D6TSHRUSP2CYP1A2 | |
| SCHEMBL20769632 | 0.74 | MGLL (0.43) | MGLL | |
| SCHEMBL28994325 | 0.74 | MGLL (0.43) | MGLLCYP2D6 | |
| SCHEMBL19975519 | 0.73 | CYP2D6 (0.51) | MGLLTACR1CYP2D6TSHRUSP2 | |
| SCHEMBL28304786 | 0.72 | CYP3A4 (0.47) | TACR1CYP2D6TSHRUSP2CYP1A2 | |
| SCHEMBL19974348 | 0.71 | STS (0.30) | — | |
| SCHEMBL28304841 | 0.70 | CYP2D6 (0.42) | MGLLTACR1CYP2D6TSHRUSP2 |
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-111032034-B | Spiro compounds and methods of making and using the same | H.隆德贝克有限公司 | 2023-05-02 | — | — | CN | disclosed |