Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SCN4A | P35499 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | KLF10 | Q13118 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25225638 | 0.81 | CYP1A2 (0.36) | CYP1A2KDM4ESCN4ACYP3A4CYP2D6 | |
| SCHEMBL29193837 | 0.76 | CYP2C19 (0.36) | CYP1A2KDM4ECYP3A4CYP2D6TSHR | |
| SCHEMBL15759300 | 0.75 | TSHR (0.42) | CYP1A2KDM4ESCN4ACYP2D6TSHR | |
| SCHEMBL25214560 | 0.75 | CYP1A2 (0.39) | CYP1A2KDM4ESCN4ACYP3A4CYP2D6 | |
| SCHEMBL29193913 | 0.74 | TSHR (0.38) | CYP1A2KDM4ESCN4ACYP3A4CYP2D6 | |
| SCHEMBL28897737 | 0.74 | ACHE (0.34) | CYP3A4TSHRHTR2ASLC6A4DRD3 | |
| SCHEMBL11120754 | 0.73 | TSHR (0.43) | CYP1A2KDM4ESCN4ACYP3A4CYP2D6 | |
| SCHEMBL3128896 | 0.73 | TSHR (0.43) | CYP1A2KDM4ESCN4ACYP2D6TSHR | |
| SCHEMBL16460295 | 0.73 | CYP1A2 (0.40) | CYP1A2KDM4ESCN4ACYP3A4CYP2D6 | |
| SCHEMBL25203927 | 0.72 | ACHE (0.42) | SLC6A2SLC6A4DRD3SLC6A3LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20230167144-A1 | PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION | Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) | 2023-06-01 | — | — | US | claimed |
| US-20230167144-A1 | PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION | Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) | 2023-06-01 | — | — | US | disclosed |