Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC1 | P33527 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5877102 | 0.89 | ALDH1A1 (0.40) | ABCC1ALDH1A1HPGDKDM4ENPSR1 | |
| SCHEMBL7486076 | 0.89 | CYP2D6 (0.40) | ALDH1A1HPGDKDM4ESMN1; SMN2LMNA | |
| SCHEMBL7486775 | 0.89 | EGFR (0.41) | ABCC1ALDH1A1HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL5877351 | 0.86 | AVPR1B (0.40) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL5877050 | 0.81 | ABCC1 (0.62) | ABCC1ALDH1A1NPSR1SMN1; SMN2LMNA | |
| SCHEMBL5878320 | 0.79 | ABCC1 (0.62) | ABCC1ALDH1A1NPSR1SMN1; SMN2LMNA | |
| SCHEMBL5877453 | 0.79 | CRHR1 (0.42) | ABCC1ALDH1A1POLBNPSR1SMN1; SMN2 | |
| SCHEMBL6313793 | 0.78 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4EPOLBNPSR1 | |
| SCHEMBL5877881 | 0.77 | ABCC1 (0.53) | ABCC1ALDH1A1NPSR1SMN1; SMN2LMNA | |
| SCHEMBL5877489 | 0.77 | ABCC1 (0.53) | ABCC1ALDH1A1NPSR1LMNAHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7060706-B1 | Quinazolinones | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2006-06-13 | — | — | US | disclosed |