Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | BACE1 | P56817 | 3/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 6/20 | 0.42 |
| ▸ | CGAS | Q8N884 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4493177 | 0.76 | BACE1 (0.63) | ALDH1A1BACE1ADORA1TP53SMN1; SMN2 | |
| SCHEMBL8767485 | 0.74 | ALDH1A1 (0.56) | ALDH1A1BACE1ADORA1TP53SMN1; SMN2 | |
| SCHEMBL11502325 | 0.71 | ADORA1 (0.56) | ALDH1A1ADORA1TP53SMN1; SMN2KDM4E | |
| SCHEMBL8994051 | 0.70 | GSK3B (0.56) | ALDH1A1BACE1ADORA1TP53SMN1; SMN2 | |
| SCHEMBL7385338 | 0.69 | GSK3B (0.59) | ALDH1A1GSK3BMEN1KMT2ACDC7 | |
| SCHEMBL4508981 | 0.69 | BACE1 (0.67) | BACE1KDM4E | |
| SCHEMBL10844457 | 0.67 | KDM4E (0.48) | ALDH1A1BACE1ADORA1TP53SMN1; SMN2 | |
| SCHEMBL4148126 | 0.66 | BACE1 (0.57) | ALDH1A1BACE1ADORA1SMN1; SMN2KDM4E | |
| SCHEMBL11665619 | 0.66 | ALDH1A1 (0.49) | ALDH1A1ADORA1TP53SMN1; SMN2KDM4E | |
| SCHEMBL11797265 | 0.65 | ALDH1A1 (1.00) | ALDH1A1ADORA1TP53SMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0724573-A1 | PYRIMIDINONES AS ANTIARTHRITIC AND ANTI-INFLAMMATORIES | PHARMACIA & UPJOHN COMPANY (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995011235-A1 | PYRIMIDINONES AS ANTIARTHRITIC AND ANTI-INFLAMMATORIES | THE UPJOHN COMPANY (US) | 1995-04-27 | — | — | WO | disclosed |