Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 2/20 | 0.56 |
| ▸ | MMP2 | P08253 | 2/20 | 0.56 |
| ▸ | MMP9 | P14780 | 2/20 | 0.56 |
| ▸ | MMP13 | P45452 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | MMP8 | P22894 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | MMP3 | P08254 | 1/20 | 0.51 |
| ▸ | MMP7 | P09237 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5625012 | 1.00 | MMP1 (0.56) | MMP1MMP2MMP9MMP13CA1 | |
| SCHEMBL21058989 | 1.00 | MMP1 (0.56) | MMP1MMP2MMP9MMP13CA1 | |
| SCHEMBL21058664 | 0.92 | MMP1 (0.50) | MMP1MMP2MMP9MMP13CA1 | |
| SCHEMBL21058670 | 0.92 | MMP1 (0.50) | MMP1MMP2MMP9MMP13CA1 | |
| SCHEMBL32668283 | 0.88 | CA1 (0.53) | MMP1MMP2MMP9MMP13CA1 | |
| SCHEMBL5847457 | 0.87 | CA1 (0.58) | MMP1MMP2MMP9MMP13CA1 | |
| SCHEMBL5846555 | 0.87 | CA1 (0.58) | MMP1MMP2MMP9MMP13CA1 | |
| SCHEMBL21837493 | 0.86 | CA1 (0.60) | MMP1MMP2MMP9MMP13CA1 | |
| SCHEMBL21837494 | 0.86 | CA1 (0.60) | MMP1MMP2MMP9MMP13CA1 | |
| SCHEMBL21029163 | 0.84 | CA1 (0.55) | MMP1MMP2MMP9MMP13CA1 |
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-111788191-B | 1- (Piperidinylcarbonylmethyl) -2-oxopiperazine derivatives for the treatment of cancer | 英夕亚生物科技股份公司 | 2024-06-04 | — | — | CN | disclosed |