Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.54 |
| ▸ | OGG1 | O15527 | 1/20 | 0.53 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6608459 | 0.94 | SCN9A (0.62) | ALDH1A1SCN9AOGG1P4HTMPTGS1 | |
| SCHEMBL279954 | 0.82 | HDAC1 (0.63) | ALDH1A1SCN9AP4HTMPTGS2HDAC1 | |
| SCHEMBL7990884 | 0.81 | OGG1 (0.55) | ALDH1A1OGG1PTGS1PTGS2HDAC1 | |
| SCHEMBL7987812 | 0.80 | SCN9A (0.55) | SCN9AP4HTMPTGS1PTGS2PTPN1 | |
| SCHEMBL22097521 | 0.80 | SCN9A (0.54) | SCN9AP4HTMHDAC1HDAC2PTPN1 | |
| SCHEMBL7990845 | 0.80 | FLT1 (0.65) | ALDH1A1SCN9AP4HTMPTGS1PTGS2 | |
| SCHEMBL3374779 | 0.80 | SCN9A (0.54) | ALDH1A1SCN9AP4HTMPTPN1CA12 | |
| SCHEMBL9913954 | 0.80 | KMT2A (0.54) | ALDH1A1SCN9AP4HTMPTPN1CA2 | |
| SCHEMBL1647742 | 0.80 | LMNA (0.54) | ALDH1A1SCN9AP4HTMPTPN1POLB | |
| SCHEMBL10202053 | 0.79 | SCN9A (0.50) | SCN9AP4HTMHDAC1HDAC3PTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0793656-B1 | NOVEL BENZYL PYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2003-03-26 | — | — | EP | disclosed |
| US-6331628-B1 | REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-18 | — | — | US | disclosed |
| US-5763450-A | BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES | HOFFMANN-LA ROCHE INC. (US) | 1998-06-09 | — | — | US | disclosed |
| EP-0793656-A1 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-09-10 | — | — | EP | disclosed |
| WO-1996016046-A2 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1996-05-30 | — | — | WO | disclosed |