Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.43 |
| ▸ | PDE2A | O00408 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL23927511 | 1.00 | TSHR (0.46) | TSHRDYRK1APDE2ACYP3A4CYP2D6 | |
| SCHEMBL30091626 | 0.86 | DYRK1A (0.44) | DYRK1AGSK3BKDM4ENPC1RAB9A | |
| SCHEMBL22272939 | 0.86 | DYRK1A (0.44) | DYRK1AGSK3BKDM4ENPC1RAB9A | |
| SCHEMBL25877903 | 0.84 | DYRK1A (0.49) | DYRK1AGSK3BKDM4EAAK1 | |
| SCHEMBL25877884 | 0.82 | DYRK1A (0.42) | DYRK1AGSK3BNPC1RAB9AAAK1 | |
| SCHEMBL22273007 | 0.82 | DYRK1A (0.42) | DYRK1AGSK3BAAK1 | |
| SCHEMBL23956537 | 0.81 | DYRK1A (0.41) | DYRK1APDE2AGSK3BNPC1RAB9A | |
| SCHEMBL22272613 | 0.81 | DYRK1A (0.46) | DYRK1AGSK3BKDM4EAAK1 | |
| SCHEMBL22272533 | 0.81 | DYRK1A (0.43) | DYRK1AGSK3BKDM4ENPC1RAB9A | |
| SCHEMBL11612193 | 0.80 | TSHR (0.58) | TSHRNR5A1DHFR |
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-113166116-B | Amido bridged heterocyclic compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2022-12-27 | — | — | CN | disclosed |