Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 6/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.50 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | C1S | P09871 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22291210 | 0.83 | CA12 (0.55) | MAPTPRSS1KMT2APRSS2PRSS3 | |
| SCHEMBL22291213 | 0.80 | PRSS1 (0.43) | CYP3A4PRSS1HTTTSHRAPOBEC3A | |
| 3,4,5-Trimethoxybenzamide SCHEMBL1326890 | 0.78 | TSHR (0.76) | CYP3A4MAPTHTTTSHRAPOBEC3A | |
| SCHEMBL3368852 | 0.78 | PRSS1 (0.77) | CYP3A4PRSS1TSHRALDH1A1PRSS2 | |
| SCHEMBL2766557 | 0.78 | HTT (0.57) | CYP3A4MAPTHTTTSHRAPOBEC3A | |
| 3,4,5-Trimethoxybenzamide SCHEMBL4381076 | 0.77 | TSHR (0.73) | CYP3A4MAPTHTTTSHRAPOBEC3A | |
| Hydrochloric Acid SCHEMBL6287246 | 0.77 | PRSS1 (0.77) | CYP3A4PRSS1TSHRALDH1A1PRSS2 | |
| Hydrochloric Acid SCHEMBL6794567 | 0.76 | PRSS1 (0.53) | PRSS1PRSS2PRSS3C1S | |
| Hydrochloric Acid SCHEMBL6645355 | 0.76 | PRSS1 (0.53) | PRSS1PRSS2PRSS3C1S | |
| SCHEMBL22291110 | 0.75 | F10 (0.55) | PRSS1PRSS2PRSS3 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020160148-A1 | SMALL MOLECULE NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) INHIBITORS | THE JOHNS HOPKINS UNIVERSITY (US) | 2020-08-06 | — | — | WO | disclosed |
| CN-105899504-A | Imidazoles for the treatment and prophylaxis of respiratory syncytial virus infection | 豪夫迈·罗氏有限公司 | 2016-08-24 | — | — | CN | disclosed |
| EP-1476435-B1 | NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2010-06-30 | — | — | EP | disclosed |
| CN-1324015-C | Pyridine and pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2007-07-04 | — | — | CN | disclosed |
| US-7022718-B2 | Pyridine and pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-04-04 | — | — | US | disclosed |
| US-20050143405-A1 | Pyridine and pyrimidine derivatives | BOEHRINGER MARKUS (CH) | 2005-06-30 | — | — | US | disclosed |
| CN-1630644-A | Novel pyridine and pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2005-06-22 | — | — | CN | disclosed |
| US-6867205-B2 | Pyridine and pyrimidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2005-03-15 | — | — | US | disclosed |
| EP-1476435-A1 | NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-11-17 | — | — | EP | disclosed |
| WO-2003068757-A9 | NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-10-07 | — | — | WO | disclosed |
| US-20030216382-A1 | Pyridine and pyrimidine derivatives | HOFFMAN-LA ROCHE INC. | 2003-11-20 | — | — | US | disclosed |
| WO-2003068757-A1 | NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-08-21 | — | — | 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 (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-20030216382-A1 | Pyridine and pyrimidine derivatives | DPP4, GPR119, G6PC1 | CYP3A4 76/4885MAPT 4559/4885PRSS1 283/4885 |
| US-20050143405-A1 | Pyridine and pyrimidine derivatives | DPP4, GPR119, PDXK | CYP3A4 70/4885MAPT 4458/4885PRSS1 217/4885 |
“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.