Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MLYCD | O95822 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17832213 | 0.86 | OGA (0.43) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL17832326 | 0.82 | KCNA5 (0.44) | DHFRSMN1; SMN2MAPTHDAC3HDAC4 | |
| SCHEMBL17832306 | 0.79 | MAPT (0.43) | SMN1; SMN2MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL6793180 | 0.78 | MAPT (0.65) | SMN1; SMN2MAPTALDH1A1TRIM24TRIM33 | |
| SCHEMBL31553534 | 0.77 | DHFR (0.50) | DHFRCA12CA2CA9DEGS1 | |
| SCHEMBL21620194 | 0.77 | ACACB (0.43) | CYP3A4 | |
| SCHEMBL28650484 | 0.76 | CA12 (0.65) | DHFRCA12CA2CA9SMN1; SMN2 | |
| SCHEMBL17832308 | 0.74 | NR1H2 (0.46) | SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL23636875 | 0.74 | LIPG (0.49) | — | |
| SCHEMBL13632333 | 0.73 | AKR1C3 (0.56) | DHFRCA12CA2CA9SMN1; SMN2 |
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 | DHFR 26/4885CA12 4585/4885CA2 4453/4885 |
“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.