Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | G6PD | P11413 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21121434 | 0.84 | HDAC1 (0.35) | CSNK2A1 | |
| SCHEMBL21121171 | 0.81 | PTGS1 (0.42) | TSHRTTR | |
| SCHEMBL28417902 | 0.78 | AKR1B1 (0.47) | PTPN1 | |
| SCHEMBL21121457 | 0.76 | ESR1 (0.48) | TDP1CYP2C19 | |
| SCHEMBL21157246 | 0.74 | TAAR1 (0.45) | TSHR | |
| SCHEMBL7873997 | 0.73 | CYP3A4 (0.55) | TDP2G6PDS100A4PTPN1CYP3A4 | |
| SCHEMBL22554350 | 0.71 | NPC1 (0.49) | CYP3A4TSHRTDP1CYP2C19 | |
| SCHEMBL22554381 | 0.70 | TAAR1 (0.42) | TSHRCYP2C19 | |
| SCHEMBL21157240 | 0.69 | ALDH1A1 (0.51) | — | |
| SCHEMBL21157874 | 0.69 | CYP1A2 (0.38) | TDP1 |
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-111170918-B | Method for synthesizing gamma-lactam and delta-lactam through C-H amine | 山东大学 | 2021-09-21 | — | — | CN | disclosed |
| CN-111170918-A | Method for synthesizing gamma-lactam and delta-lactam through C-H amine | 山东大学 | 2020-05-19 | — | — | CN | disclosed |