Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | MITF | O75030 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.50 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.47 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30114938 | 1.00 | VCP (0.60) | VCPALDH1A1HSP90AA1MAPTNPSR1 | |
| SCHEMBL10625119 | 0.83 | VCP (0.81) | VCPALDH1A1HSP90AA1MAPTNPSR1 | |
| SCHEMBL9124703 | 0.82 | HSP90AA1 (0.69) | VCPALDH1A1HSP90AA1MAPTNPSR1 | |
| SCHEMBL978641 | 0.79 | VCP (0.75) | VCPALDH1A1HSP90AA1MAPTNPSR1 | |
| SCHEMBL3798644 | 0.79 | VCP (0.59) | VCPALDH1A1HSP90AA1MAPTNPSR1 | |
| SCHEMBL28738494 | 0.78 | VCP (0.58) | VCPALDH1A1HSP90AA1MAPTNPSR1 | |
| SCHEMBL8650544 | 0.78 | VCP (0.58) | VCPALDH1A1HSP90AA1MAPTNPSR1 | |
| SCHEMBL28972916 | 0.78 | VCP (0.67) | VCPALDH1A1HSP90AA1MAPTNPSR1 | |
| SCHEMBL21318361 | 0.77 | ASIC3 (0.45) | VCPALDH1A1HSP90AA1MAPTNPSR1 | |
| SCHEMBL28509442 | 0.77 | ASIC3 (0.45) | VCPALDH1A1MAPTMEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115677739-A | Preparation method of O, O-boron difluoride complex | 华南理工大学 | 2023-02-03 | — | — | CN | disclosed |
| US-7799818-B2 | Pyrazole derivatives, compositions containing such compounds and methods of use | MERCK SHARP & DOHME CORP. (US) | 2010-09-21 | — | — | US | disclosed |
| US-7598285-B2 | Pyrazole derivatives, compositions containing such compounds and methods of use | MERCK & CO., INC (US) | 2009-10-06 | — | — | US | disclosed |
| US-20090176854-A1 | N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance | MERCK SHARP & DOHME LLC | 2009-07-09 | — | — | US | disclosed |
| US-20050272794-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | MERCK SHARP & DOHME LLC | 2005-12-08 | — | — | US | 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 (2 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-20050272794-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | PC, GOT2, PNLIP | VCP 3233/4885ALDH1A1 1729/4885HSP90AA1 3577/4885 |
| US-20090176854-A1 | N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance | GOT2, GOT1, IAPP | VCP 3287/4885ALDH1A1 800/4885HSP90AA1 2130/4885 |
“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.