Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1840606 | 1.00 | GABRA1 (0.42) | GABRA1GABRB2HPGDKDM4ETSHR | |
| SCHEMBL1837215 | 0.86 | KDM4E (0.39) | GABRA1GABRB2HPGDKDM4EADRA2A | |
| SCHEMBL1840074 | 0.85 | GABRA1 (0.54) | GABRA1GABRB2HPGDKDM4ETSHR | |
| SCHEMBL18224431 | 0.74 | SRC (0.45) | HPGDKDM4ETSHR | |
| SCHEMBL30409742 | 0.72 | TSHR (0.43) | GABRA1GABRB2HPGDTSHRADRA2A | |
| SCHEMBL1833896 | 0.72 | TSHR (0.43) | GABRA1GABRB2HPGDTSHRADRA2A | |
| SCHEMBL10627978 | 0.71 | ALDH1A1 (0.47) | KDM4EADRA2AADRA2BADRA2CMAOA | |
| SCHEMBL9453500 | 0.71 | KDM4E (0.41) | KDM4ETSHRADRA2AADRA2BADRA2C | |
| SCHEMBL1836716 | 0.71 | SRD5A2 (0.41) | GABRA1GABRB2HPGDADRA2AADRA2B | |
| SCHEMBL17319372 | 0.71 | KDM4E (0.43) | KDM4EADRA2AADRA2BADRA2CMAOA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023080257-A1 | METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION | 旭化成株式会社 | 2023-05-11 | — | — | WO | disclosed |