Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.40 |
| ▸ | NT5E | P21589 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9099849 | 0.81 | NT5E (0.47) | ALDH1A1HPGDNPSR1MCOLN3NT5E | |
| SCHEMBL9099856 | 0.81 | NT5E (0.47) | ALDH1A1HPGDNPSR1MCOLN3NT5E | |
| SCHEMBL3899543 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP3A4ALOX15L3MBTL1SMN1; SMN2 | |
| SCHEMBL9098078 | 0.74 | KMT2A (0.45) | ALDH1A1HPGDNT5ECYP2C19CYP3A4 | |
| SCHEMBL10477956 | 0.72 | PRMT5 (0.46) | ALDH1A1NT5ECYP2C19TSHRPRMT5 | |
| SCHEMBL16052639 | 0.72 | PRMT5 (0.46) | ALDH1A1NT5ECYP2C19TSHRPRMT5 | |
| SCHEMBL27961962 | 0.72 | NT5E (0.42) | ALDH1A1HPGDNPSR1MCOLN3NT5E | |
| SCHEMBL10477957 | 0.72 | PRMT5 (0.46) | ALDH1A1NT5ECYP2C19TSHRPRMT5 | |
| SCHEMBL58848 | 0.72 | KMT2A (0.39) | ALDH1A1SMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL468316 | 0.70 | ALDH1A1 (0.58) | ALDH1A1NT5ECYP2C19TSHRCYP3A4 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107406386-B | Process for producing 1- (4-hydroxyphenyl) -4- (4-trifluoromethoxyphenoxy) piperidine or salt thereof | 大塚制药株式会社 | 2021-06-01 | — | — | CN | disclosed |
| EP-2644599-B1 | Method for preparing a 2-halo-4-nitroimidazole compound | OTSUKA PHARMA CO LTD (JP) | 2014-12-10 | — | — | EP | disclosed |
| EP-2644599-A1 | Method for preparing 1-substituted-4-nitroimidazole compound | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-10-02 | — | — | EP | disclosed |
| US-20120130082-A1 | 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same | OTSUKA PHARMACEUTICAL CO., LTD. | 2012-05-24 | — | — | US | disclosed |
| US-8129544-B2 | Preparation of 4-nitroimidazoles that are 2-substituted with a halo or optionally oxidized phenylthio group and 1-substituted with hydrogen, an oxiranylmethyl-, or a phenyl- group; dehalogenation, reduction, nitration, rearrangement | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-06 | — | — | US | disclosed |
| US-7807843-B2 | 1-substituted-4-nitroimidazole compound and method for preparing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-10-05 | — | — | US | disclosed |
| US-20080200689-A1 | 1-Substituted-4-nitroimidazole compound and method for preparing the same | OTSUKA PHARMACEUTICAL CO., LTD. | 2008-08-21 | — | — | US | disclosed |
| US-7368579-B2 | 1-substituted-4-nitroimidazole compound and process for producing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-06 | — | — | US | disclosed |
| US-20080097107-A1 | 1-substituted-4-nitroimidazole compound and method for preparing the same | OTSUKA PHARMACEUTICAL CO. LTD. | 2008-04-24 | — | — | US | disclosed |
| US-20060079697-A1 | 1-substituted-4-nitroimidazole compound and process for producing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-04-13 | — | — | US | disclosed |
| EP-1553088-A1 | 1-SUBSTITUTED 4-NITROIMIDAZOLE COMPOUND AND PROCESS FOR PRODUCING THE SAME | Otsuka Pharmaceutical Company, Limited (JP) | 2005-07-13 | — | — | EP | 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 (4 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-20120130082-A1 | 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same | CBR1, CBR3, DCXR | ALDH1A1 836/4885HPGD 1049/4885NPSR1 337/4885 |
| US-20060079697-A1 | 1-substituted-4-nitroimidazole compound and process for producing the same | CBR1, CBR3, DCXR | ALDH1A1 780/4885HPGD 998/4885NPSR1 492/4885 |
| US-20080200689-A1 | 1-Substituted-4-nitroimidazole compound and method for preparing the same | CBR1, CBR3, DCXR | ALDH1A1 836/4885HPGD 1049/4885NPSR1 337/4885 |
| US-20080097107-A1 | 1-substituted-4-nitroimidazole compound and method for preparing the same | CBR1, CBR3, DCXR | ALDH1A1 836/4885HPGD 1049/4885NPSR1 337/4885 |
“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.