Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | S1PR3 | Q99500 | 9/20 | 0.55 |
| ▸ | S1PR4 | O95977 | 6/20 | 0.55 |
| ▸ | S1PR2 | O95136 | 4/20 | 0.55 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | MAX | P61244 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.39 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.39 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19195652 | 0.77 | S1PR3 (0.71) | ALDH1A1S1PR3S1PR4S1PR2S1PR1 | |
| SCHEMBL12614850 | 0.77 | S1PR3 (0.71) | ALDH1A1S1PR3S1PR4S1PR2S1PR1 | |
| SCHEMBL1357366 | 0.73 | GAA (0.56) | ALDH1A1F2MTORGRM5HDAC1 | |
| SCHEMBL4875309 | 0.73 | S1PR3 (0.50) | ALDH1A1S1PR3S1PR4S1PR2S1PR1 | |
| SCHEMBL17680606 | 0.72 | NPSR1 (0.59) | F2MTORGRM5MYCMAX | |
| SCHEMBL17018686 | 0.72 | GRM5 (0.51) | ALDH1A1F2MTORGRM5MYC | |
| SCHEMBL2339352 | 0.72 | S1PR2 (0.50) | ALDH1A1S1PR3S1PR4S1PR2GAA | |
| SCHEMBL19195494 | 0.71 | S1PR3 (1.00) | ALDH1A1S1PR3S1PR4S1PR2S1PR1 | |
| SCHEMBL27959751 | 0.71 | S1PR2 (0.46) | ALDH1A1S1PR3S1PR4S1PR2GAA | |
| SCHEMBL28443884 | 0.70 | HDAC1 (0.46) | F2MTORGRM5MYCMAX |
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 4 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-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 |