Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 11/20 | 0.43 |
| ▸ | CA1 | P00915 | 8/20 | 0.43 |
| ▸ | CA12 | O43570 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30586476 | 1.00 | CA2 (0.43) | CA2CA1CA12MAPTUSP2 | |
| SCHEMBL25257071 | 0.91 | CA2 (0.44) | CA2CA1CA12USP2TSHR | |
| SCHEMBL30586478 | 0.91 | CA2 (0.44) | CA2CA1CA12USP2TSHR | |
| SCHEMBL30586485 | 0.89 | TSHR (0.48) | CA2CA1CA12MAPTUSP2 | |
| SCHEMBL25258702 | 0.89 | TSHR (0.48) | CA2CA1CA12MAPTUSP2 | |
| SCHEMBL25262670 | 0.88 | SMN1; SMN2 (0.44) | MAPTUSP2TSHRLMNASMN1; SMN2 | |
| SCHEMBL30586457 | 0.88 | SMN1; SMN2 (0.44) | MAPTUSP2TSHRLMNASMN1; SMN2 | |
| SCHEMBL25256673 | 0.83 | ALDH1A1 (0.48) | CA2CA1CA12MAPTLMNA | |
| SCHEMBL30586475 | 0.83 | ALDH1A1 (0.48) | CA2CA1CA12MAPTLMNA | |
| SCHEMBL25827821 | 0.81 | STING1 (0.64) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116444544-A | Benzimidazole compound and medical application thereof | 中国科学院上海药物研究所 | 2023-07-18 | — | — | CN | disclosed |
| 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 |
| 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 |