Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28835623 | 0.82 | GSK3B (0.64) | AMY1APTPN1DPP4KDM4ELMNA | |
| SCHEMBL10916104 | 0.74 | KDM4E (0.53) | AMY1APTPN1DPP4KDM4ELMNA | |
| SCHEMBL1832812 | 0.72 | CA12 (0.60) | LMNASCN2ACA12CA9 | |
| SCHEMBL10916891 | 0.71 | AMY1A (0.48) | AMY1APTPN1DPP4KDM4ELMNA | |
| SCHEMBL10916886 | 0.71 | AMY1A (0.48) | AMY1APTPN1DPP4KDM4ELMNA | |
| SCHEMBL1122540 | 0.70 | ALOX5 (0.53) | KDM4ELMNAKMT2AMEN1ALDH1A1 | |
| SCHEMBL29531485 | 0.70 | CA1 (0.62) | KDM4ESCN2AALDH1A1SMN1; SMN2CA12 | |
| SCHEMBL17550101 | 0.70 | CA1 (0.62) | KDM4ESCN2AALDH1A1SMN1; SMN2CA12 | |
| SCHEMBL29848982 | 0.69 | ALDH1A1 (0.53) | AMY1APTPN1DPP4KDM4ELMNA | |
| SCHEMBL28835604 | 0.69 | ALDH1A1 (0.53) | AMY1APTPN1DPP4KDM4ELMNA |
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-114874143-A | Regulator containing pyrazole derivatives, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-08-09 | — | — | CN | disclosed |