Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.38 |
| ▸ | TDO2 | P48775 | 5/20 | 0.38 |
| ▸ | P2RY4 | P51582 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | BUB1 | O43683 | 1/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL28338822 | 0.78 | IDO1 (0.34) | IDO1TDO2 | |
| SCHEMBL28338774 | 0.76 | PTGS2 (0.35) | IDO1TDO2EGFRMTNR1AMTNR1B | |
| SCHEMBL28880740 | 0.74 | PTGS2 (0.43) | IDO1TDO2EGFR | |
| SCHEMBL27309524 | 0.73 | GPR17 (0.39) | MTNR1AMTNR1B | |
| SCHEMBL28168774 | 0.71 | PTK6 (0.41) | GRM4EGFRMTNR1AMTNR1B | |
| SCHEMBL27694363 | 0.71 | GPR84 (0.32) | — | |
| SCHEMBL29865098 | 0.70 | P2RX7 (0.51) | IDO1TDO2P2RY4GRM4KCNH2 | |
| Ethoxycarbonyl Group SCHEMBL28844709 | 0.70 | P2RX7 (0.47) | IDO1TDO2P2RY4GRM4P2RX7 | |
| SCHEMBL27908784 | 0.68 | MTNR1A (0.43) | EGFRMTNR1AMTNR1B | |
| SCHEMBL28291585 | 0.68 | ALDH1A1 (0.37) | EGFRMTNR1AMTNR1B |
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-110483366-B | Indole compound and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-09-16 | — | — | CN | disclosed |