Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL3317844 | 0.87 | CA1 (0.36) | TSHRAGTR2LMNATAAR1PDE4D | |
| SCHEMBL28906063 | 0.79 | LMNA (0.42) | TSHRAGTR2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3315476 | 0.77 | TSHR (0.39) | TSHRBCHEACHEAGTR2CYP3A4 | |
| Alcohol SCHEMBL3317840 | 0.75 | TSHR (0.37) | TSHRBCHEACHELMNATAAR1 | |
| SCHEMBL22897358 | 0.73 | TSHR (0.38) | VDRTSHRBCHEACHEAGTR2 | |
| SCHEMBL3992603 | 0.73 | AGTR2 (0.41) | TSHRACHEAGTR2CYP2C9CYP2C19 | |
| SCHEMBL15927895 | 0.72 | TSHR (0.42) | TSHRBCHEACHELMNATAAR1 | |
| SCHEMBL17516317 | 0.72 | TSHR (0.42) | TSHRBCHEACHELMNATAAR1 | |
| SCHEMBL15927905 | 0.72 | TSHR (0.42) | TSHRBCHEACHELMNATAAR1 | |
| SCHEMBL28507383 | 0.69 | DHCR24 (0.31) | — |
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-112239398-A | Dimethylcyclobutanone compound, dimethylcyclobutane compound and preparation method thereof | 信越化学工业株式会社 | 2021-01-19 | — | — | CN | disclosed |