Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | MMP12 | P39900 | 2/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | FABP7 | O15540 | 1/20 | 0.38 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1463408 | 1.00 | EPHX1 (0.52) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL121264 | 1.00 | EPHX1 (0.52) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL1462696 | 1.00 | EPHX1 (0.52) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL235213 | 0.97 | — | — | |
| Iodomethane SCHEMBL27553883 | 0.93 | EPHX1 (0.48) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL966449 | 0.92 | — | — | |
| SCHEMBL871360 | 0.85 | — | — | |
| SCHEMBL9270019 | 0.81 | EPHX1 (0.50) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL9273496 | 0.81 | EPHX1 (0.50) | EPHX1CA12CA1CA2CA9 | |
| Bicarbonate SCHEMBL11518297 | 0.81 | EPHX1 (0.56) | EPHX1CA12CA1CA2CA9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6174877-B1 | EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-16 | — | — | US | disclosed |
| US-5948774-A | EXCELLENT ANTIBACTERIAL ACTIVITIES ON A BROAD RANGE OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA, ESPECIALLY STAPHYLOCOCCUS AUREUS AND METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS (MRSA) | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-09-07 | — | — | US | disclosed |
| EP-0876370-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1998-11-11 | — | — | EP | disclosed |
| EP-0828744-A1 | CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1998-03-18 | — | — | EP | disclosed |
| WO-1997025325-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-17 | — | — | WO | disclosed |
| WO-1996038451-A1 | CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-12-05 | — | — | WO | disclosed |