Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5184706 | 0.85 | POLB (0.45) | SLC6A4SLC6A3POLBMAPK1 | |
| SCHEMBL341297 | 0.82 | CYP2D6 (0.50) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL3801806 | 0.76 | SIGMAR1 (0.41) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL5184047 | 0.76 | HTR1A (0.43) | SLC6A2SLC6A4SLC6A3POLBTSHR | |
| Oxalic Acid SCHEMBL5184697 | 0.75 | HTR1A (0.48) | SLC6A2SLC6A4SLC6A3POLBALDH1A1 | |
| SCHEMBL7755869 | 0.74 | ALDH1A1 (0.43) | POLBTSHRALDH1A1HSD17B10 | |
| SCHEMBL7752548 | 0.74 | ALDH1A1 (0.43) | POLBTSHRALDH1A1HSD17B10 | |
| SCHEMBL5184036 | 0.74 | SLC6A4 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4900306 | 0.73 | SIGMAR1 (0.44) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL5941085 | 0.73 | LMNA (0.44) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20100291151-A1 | 1-METHYLPYRAZOLE MODULATORS OF SUBSTANCE P, CALCITONIN GENE-RELATED PEPTIDE, ADRENERGIC RECEPTOR, AND/OR 5-HT RECEPTOR | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-11-18 | — | — | US | disclosed |
| US-20100291151-A1 | 1-METHYLPYRAZOLE MODULATORS OF SUBSTANCE P, CALCITONIN GENE-RELATED PEPTIDE, ADRENERGIC RECEPTOR, AND/OR 5-HT RECEPTOR | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-11-18 | — | — | US | disclosed |
| US-20100291151-A1 | 1-METHYLPYRAZOLE MODULATORS OF SUBSTANCE P, CALCITONIN GENE-RELATED PEPTIDE, ADRENERGIC RECEPTOR, AND/OR 5-HT RECEPTOR | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-11-18 | — | — | US | disclosed |
| WO-2010123999-A2 | 1-METHYLPYRAZOLE MODULATORS OF SUBSTANCE P, CALCITONIN GENE-RELATED PEPTIDE, ADRENERGIC RECEPTOR, AND/OR 5-HT RECEPTOR | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-10-28 | — | — | WO | disclosed |
| WO-2010123999-A2 | 1-METHYLPYRAZOLE MODULATORS OF SUBSTANCE P, CALCITONIN GENE-RELATED PEPTIDE, ADRENERGIC RECEPTOR, AND/OR 5-HT RECEPTOR | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-10-28 | — | — | 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-20100291151-A1 | 1-METHYLPYRAZOLE MODULATORS OF SUBSTANCE P, CALCITONIN GENE-RELATED PEPTIDE, ADRENERGIC RECEPTOR, AND/OR 5-HT RECEPTOR | TACR1, HTR3A, HTR3C | CYP2D6 646/4885SLC6A2 379/4885SLC6A4 223/4885 |
“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.