Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | GRM8 | O00222 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2178492 | 1.00 | NAPRT (0.39) | NAPRTGRM8GRM4CYP3A4CYP2C19 | |
| SCHEMBL11481049 | 0.84 | NAPRT (0.41) | NAPRTGRM8GRM4CYP3A4CYP2C19 | |
| SCHEMBL23555481 | 0.82 | ROCK2 (0.42) | NAPRTGRM8GRM4CYP3A4CYP2C19 | |
| SCHEMBL25660369 | 0.82 | HSD17B10 (0.47) | NAPRTGRM8GRM4CYP3A4CYP2C19 | |
| SCHEMBL306354 | 0.81 | CA1 (0.44) | NAPRTGRM8GRM4CYP3A4CYP2C19 | |
| SCHEMBL14324041 | 0.80 | MDM2 (0.61) | KDM4EROCK2ROCK1MDM2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL15269736 | 0.80 | HSD17B10 (0.46) | NAPRTGRM8GRM4CYP2C19KDM4E | |
| SCHEMBL2795038 | 0.78 | ROCK2 (0.71) | KDM4EROCK2ROCK1ALDH1A1MAPK1 | |
| SCHEMBL2793932 | 0.78 | ROCK2 (0.71) | KDM4EROCK2ROCK1ALDH1A1MAPK1 | |
| SCHEMBL2790404 | 0.78 | ROCK2 (0.71) | KDM4EROCK2ROCK1ALDH1A1MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8173808-B2 | Substituted naphthalenyl-pyrimidine compounds | ARQULE, INC. (US) | 2012-05-08 | — | — | US | disclosed |
| US-20110166137-A1 | Substituted Naphthalenyl-Pyrimidine Compounds | ARQULE, INC. (US) | 2011-07-07 | — | — | 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 (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-20110166137-A1 | Substituted Naphthalenyl-Pyrimidine Compounds | DPYD, TP53, TYMP | NAPRT 35/4885GRM8 4497/4885GRM4 4661/4885 |
“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.