Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | SMO | Q99835 | 2/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | GPR183 | P32249 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17832319 | 0.87 | BCHE (0.44) | CACNA1GCACNA1HCACNA1IBCHEACHE | |
| SCHEMBL19627318 | 0.86 | HDAC3 (0.50) | CACNA1BHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL17832243 | 0.81 | CHRM2 (0.44) | SMOPGRGPR183CACNA1GCACNA1H | |
| SCHEMBL17832241 | 0.81 | SGPL1 (0.43) | SMO | |
| SCHEMBL17832253 | 0.80 | CACNA1G (0.38) | CACNA1GCACNA1HCACNA1IBCHEACHE | |
| SCHEMBL19627313 | 0.80 | HDAC1 (0.39) | HDAC1RXRAGRIN1GRIN2BLIPE | |
| SCHEMBL17832250 | 0.79 | ACACB (0.51) | — | |
| SCHEMBL17832235 | 0.78 | FAAH (0.47) | FAAHEPHX2 | |
| SCHEMBL17832244 | 0.78 | LCAT (0.44) | SMOCACNA1GCACNA1HCACNA1IBCHE | |
| SCHEMBL17832239 | 0.76 | ACACB (0.39) | FAAHEPHX2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170334927-A1 | Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing | SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) | 2017-11-23 | — | — | US | disclosed |
| US-20170334927-A1 | Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing | SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) | 2017-11-23 | — | — | US | disclosed |
| WO-2016091207-A1 | NITROMIDAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN DRUG MANUFACTURING | 上海阳帆医药科技有限公司 | 2016-06-16 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170334927-A1 | Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing | NISCH, CYP51A1, CYP4F11 | CACNA1B 1321/4885HDAC3 1697/4885HDAC4 941/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.