Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOD1 | Q9Y239 | 4/20 | 0.43 |
| ▸ | NOD2 | Q9HC29 | 3/20 | 0.43 |
| ▸ | CCR6 | P51684 | 3/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL23147752 | 0.85 | NOD2 (0.47) | NOD1NOD2CCR6KDM4ELMNA | |
| SCHEMBL23148046 | 0.81 | NOD1 (0.48) | NOD1NOD2KDM4ELMNATSHR | |
| SCHEMBL23147626 | 0.78 | CYP11B1 (0.44) | NOD1NOD2CYP11B1CYP11B2OPRM1 | |
| SCHEMBL29813550 | 0.77 | NOD1 (0.45) | NOD1NOD2L3MBTL1OPRM1OPRD1 | |
| SCHEMBL23147751 | 0.77 | NOD1 (0.45) | NOD1NOD2L3MBTL1OPRM1OPRD1 | |
| SCHEMBL30877335 | 0.76 | KDM4E (0.40) | NOD1NOD2CCR6KDM4ELMNA | |
| SCHEMBL30877374 | 0.76 | CCR6 (0.37) | CCR6KDM4ELMNATSHRL3MBTL1 | |
| SCHEMBL23147551 | 0.75 | NOD1 (0.47) | NOD1NOD2KDM4ELMNATSHR | |
| SCHEMBL9378689 | 0.74 | NOD2 (0.55) | NOD1NOD2KDM4ELMNATSHR | |
| SCHEMBL2927020 | 0.74 | PTGS2 (0.42) | NOD1NOD2KDM4ELMNAPTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117964643-B | Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof | 苏州朗睿生物医药有限公司 | 2024-07-02 | — | — | CN | disclosed |
| CN-117964643-A | Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof | 苏州朗睿生物医药有限公司 | 2024-05-03 | — | — | CN | disclosed |