Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 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 | |
|---|---|---|---|---|
| SCHEMBL19330204 | 1.00 | ALDH1A1 (0.50) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL30701145 | 0.88 | CA12 (0.46) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL19330146 | 0.88 | CA12 (0.46) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL1179800 | 0.81 | ALDH1A1 (0.56) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL943936 | 0.81 | F2 (0.59) | ALDH1A1KDM4EPOLBTSHRMAPT | |
| SCHEMBL21669555 | 0.80 | CA12 (0.47) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL19330154 | 0.80 | KDM4E (0.53) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL1179421 | 0.79 | SMN1; SMN2 (0.55) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL2084873 | 0.77 | ALDH1A1 (0.50) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL19330767 | 0.77 | ALDH1A1 (0.42) | ALDH1A1KDM4ECYP2C9 |
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-109069514-B | Antibacterial compound and application thereof | 结核病药物开发全球联盟公司 | 2023-12-29 | — | — | CN | disclosed |