Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.31 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | NPY1R | P25929 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6995262 | 0.83 | KDM4E (0.43) | CA12CA1CA2PKMTDP1 | |
| SCHEMBL7805887 | 0.80 | KMT2A (0.43) | CA12CA1CA2PKMTDP1 | |
| SCHEMBL6989267 | 0.69 | KMT2A (0.44) | CA12CA1CA2PKMTDP1 | |
| SCHEMBL6998447 | 0.69 | KMT2A (0.39) | CA12CA1CA2PKMTDP1 | |
| SCHEMBL28961939 | 0.65 | ERN1 (0.47) | CA12TDP1ALDH1A1MAPTHPGD | |
| SCHEMBL6613577 | 0.61 | TDP1 (0.44) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL6618259 | 0.61 | TDP1 (0.44) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL249846 | 0.61 | ALDH1A1 (0.68) | CA12TDP1ALDH1A1HSD17B10CYP2C19 | |
| SCHEMBL4615535 | 0.60 | ALDH1A1 (0.52) | CA12TDP1ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL94769 | 0.59 | GPR35 (0.55) | CA12TDP1ALDH1A1HPGDL3MBTL1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1032383-A4 | ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT | MERCK & CO INC (US) | 2001-11-21 | — | — | EP | disclosed |
| EP-1028962-A4 | CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO INC (US) | 2001-11-21 | — | — | EP | disclosed |
| EP-1027352-A4 | CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT | MERCK & CO INC (US) | 2001-09-19 | — | — | EP | disclosed |
| EP-1032383-A1 | ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT | Merck & Co., Inc. (US) | 2000-09-06 | — | — | EP | disclosed |
| EP-1028962-A1 | CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | Merck & Co., Inc. (US) | 2000-08-23 | — | — | EP | disclosed |
| EP-1027352-A1 | CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT | Merck & Co., Inc. (US) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999020269-A1 | ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT | MERCK & CO., INC. (US) | 1999-04-29 | — | — | WO | disclosed |
| WO-1999020627-A1 | CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 1999-04-29 | — | — | WO | disclosed |
| WO-1999020628-A1 | CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 1999-04-29 | — | — | WO | disclosed |