Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7453676 | 0.85 | GPR3 (0.59) | GPR3ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL13943889 | 0.83 | ALDH1A1 (0.49) | GPR3ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL28140128 | 0.83 | GPR3 (0.57) | GPR3ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL231530 | 0.80 | GPR3 (0.64) | GPR3ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL27920980 | 0.80 | ALDH1A1 (0.46) | GPR3ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL28220555 | 0.80 | ALDH1A1 (0.58) | GPR3ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL28220087 | 0.80 | GPR3 (0.53) | GPR3ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL28142598 | 0.79 | MAPT (0.55) | GPR3ALDH1A1CYP1A2HSD17B10HPGD | |
| Ammonia Solution, Strong SCHEMBL28822932 | 0.78 | GPR3 (0.61) | GPR3ALDH1A1CYP1A2HSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL27521191 | 0.78 | GPR3 (0.61) | GPR3ALDH1A1CYP1A2HSD17B10HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110248933-A | Novel quinoline and isoquinoline derivatives for the treatment of pain and pain related disorders | 埃斯特韦制药股份公司 | 2019-09-17 | — | — | CN | disclosed |
| US-20120065188-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC | 2012-03-15 | — | — | US | disclosed |
| US-20110092480-A1 | Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions | PFIZER INC. | 2011-04-21 | — | — | US | disclosed |
| US-20080280879-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC | 2008-11-13 | — | — | 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 (3 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-20120065188-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | XDH, CYP2D6, F12 | GPR3 1096/4885ALDH1A1 3777/4885CYP1A2 140/4885 |
| US-20080280879-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | XDH, CYP2D6, F12 | GPR3 1096/4885ALDH1A1 3777/4885CYP1A2 140/4885 |
| US-20110092480-A1 | Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions | XDH, CYP2D6, F12 | GPR3 1096/4885ALDH1A1 3777/4885CYP1A2 140/4885 |
“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.