Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 7/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28527399 | 0.79 | GRIN2D (0.40) | CA1CA2SMN1; SMN2MAOBPTGS2 | |
| SCHEMBL20871103 | 0.76 | LMNA (0.49) | LMNAALDH1A1SMN1; SMN2PTGS2PTGS1 | |
| SCHEMBL28909838 | 0.76 | MAOB (0.47) | MAOBPTGS2MAPTMAPK1CYP1A2 | |
| SCHEMBL30338779 | 0.74 | CA2 (0.51) | CA1CA2LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL14476607 | 0.73 | CA2 (0.38) | CA1CA2KIF11LMNAALDH1A1 | |
| SCHEMBL21920722 | 0.72 | KIF11 (0.54) | CA1CA2KIF11ALDH1A1MAOB | |
| SCHEMBL5513731 | 0.72 | KIF11 (0.54) | CA1CA2KIF11ALDH1A1MAOB | |
| SCHEMBL13267807 | 0.72 | CA1 (0.68) | CA1CA2KIF11PTGS1CYP1A2 | |
| SCHEMBL28528096 | 0.71 | POLB (0.45) | CA1CA2LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL13410633 | 0.71 | KIF11 (0.78) | CA1CA2KIF11ALDH1A1MAOB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107987131-B | Compound with anti-drug-resistance bacterial activity, preparation method and application thereof | 上海来益生物药物研究开发中心有限责任公司 | 2021-03-09 | — | — | CN | claimed |
| CN-107987131-A | One group of compound, its preparation method and application with anti-drug resistance bacterial activity | 上海来益生物药物研究开发中心有限责任公司 | 2018-05-04 | — | — | CN | claimed |
| CN-107987131-B | Compound with anti-drug-resistance bacterial activity, preparation method and application thereof | 上海来益生物药物研究开发中心有限责任公司 | 2021-03-09 | — | — | CN | disclosed |
| CN-107987131-A | One group of compound, its preparation method and application with anti-drug resistance bacterial activity | 上海来益生物药物研究开发中心有限责任公司 | 2018-05-04 | — | — | CN | disclosed |