Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | PPARG | P37231 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | NCOA2 | Q15596 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15988673 | 0.80 | GSK3B (0.73) | GSK3BCES2CES1ALDH1A1NPSR1 | |
| SCHEMBL5524032 | 0.78 | GSK3B (0.63) | GSK3BCES2CES1ALDH1A1NPSR1 | |
| SCHEMBL12541939 | 0.75 | GSK3B (0.59) | GSK3BCES2CES1ALDH1A1NPSR1 | |
| SCHEMBL6847671 | 0.75 | GSK3B (0.62) | GSK3BCES2CES1ALDH1A1NPSR1 | |
| SCHEMBL15979689 | 0.75 | GSK3B (0.59) | GSK3BCES2CES1ALDH1A1NPSR1 | |
| SCHEMBL14624168 | 0.74 | GSK3B (0.63) | GSK3BCES2CES1ALDH1A1NPSR1 | |
| SCHEMBL2070109 | 0.74 | GSK3B (0.72) | GSK3BCES2CES1ALDH1A1NPSR1 | |
| SCHEMBL6847233 | 0.74 | GSK3B (0.63) | GSK3BCES2CES1ALDH1A1NPSR1 | |
| SCHEMBL1895582 | 0.74 | GSK3B (0.63) | GSK3BCES2CES1ALDH1A1NPSR1 | |
| SCHEMBL5206235 | 0.74 | GSK3B (0.50) | GSK3BCES2CES1ALDH1A1NPSR1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9422271-B2 | Pyrimidine compounds as tuberculosis inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-08-23 | — | — | US | disclosed |
| US-9422271-B2 | Pyrimidine compounds as tuberculosis inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-08-23 | — | — | US | disclosed |
| US-9422271-B2 | Pyrimidine compounds as tuberculosis inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-08-23 | — | — | US | disclosed |
| US-20140249137-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-04 | — | — | US | disclosed |
| US-20140249137-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-04 | — | — | US | disclosed |
| US-20140249137-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-04 | — | — | US | disclosed |
| EP-2464641-B1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMA (US) | 2014-06-25 | — | — | EP | disclosed |
| CN-102656164-A | Pyrimidine compounds as tuberculosis inhibitors | VERTEX PHARMA | 2012-09-05 | — | — | CN | disclosed |
| EP-2464641-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2012-06-20 | — | — | EP | disclosed |
| US-20110053916-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-03 | — | — | US | disclosed |
| US-20110053916-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-03 | — | — | US | disclosed |
| US-20110053916-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-03 | — | — | US | disclosed |
| WO-2011019405-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-17 | — | — | 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-20140249137-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | TYMS, TYMP, DPYD | GSK3B 1132/4885CES2 3162/4885CES1 1849/4885 |
| US-20110053916-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | TYMS, TYMP, DPYD | GSK3B 1132/4885CES2 3162/4885CES1 1849/4885 |
“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.