Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.46 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4141844 | 1.00 | GRM2 (0.46) | GRM2GRM3CYP1A2HPGDCTSS | |
| SCHEMBL1682650 | 0.98 | GRM2 (0.43) | GRM2GRM3CYP1A2HPGDCTSS | |
| SCHEMBL19814985 | 0.93 | GRM2 (0.40) | GRM2GRM3CYP1A2HPGDCTSS | |
| SCHEMBL24054646 | 0.89 | THRA (0.44) | GRM2GRM3CTSSCTSKLMNA | |
| SCHEMBL28752678 | 0.83 | GRM2 (0.46) | GRM2GRM3CYP1A2HPGDCTSS | |
| SCHEMBL12847935 | 0.82 | GRM2 (0.39) | GRM2GRM3HPGDCTSSCTSK | |
| SCHEMBL1552181 | 0.81 | THRA (0.39) | GRM2GRM3THRATHRBEPHX1 | |
| SCHEMBL528267 | 0.81 | HPGD (0.40) | GRM2GRM3CYP1A2HPGDCYP2D6 | |
| SCHEMBL13580 | 0.81 | ALOX5 (0.42) | GRM2GRM3CYP1A2HPGDCYP2D6 | |
| SCHEMBL1711877 | 0.80 | GRM2 (0.43) | GRM2GRM3CYP1A2HPGDCTSS |
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-2023131333-A1 | BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-07-13 | — | — | WO | disclosed |