Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6314863 | 1.00 | ALDH1A1 (0.45) | ALDH1A1MAPTSMN1; SMN2KDM4ETP53 | |
| SCHEMBL6307873 | 0.94 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2KDM4ETP53 | |
| SCHEMBL6307872 | 0.94 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2KDM4ETP53 | |
| SCHEMBL6313760 | 0.91 | ALDH1A1 (0.48) | ALDH1A1MAPTSMN1; SMN2KDM4ETP53 | |
| SCHEMBL6313768 | 0.91 | ALDH1A1 (0.48) | ALDH1A1MAPTSMN1; SMN2KDM4ETP53 | |
| SCHEMBL6315973 | 0.91 | ALDH1A1 (0.54) | ALDH1A1MAPTSMN1; SMN2KDM4ETP53 | |
| SCHEMBL6315968 | 0.91 | ALDH1A1 (0.54) | ALDH1A1MAPTSMN1; SMN2KDM4ETP53 | |
| SCHEMBL6314046 | 0.83 | MAPT (0.44) | ALDH1A1MAPTSMN1; SMN2KDM4ETP53 | |
| SCHEMBL6314044 | 0.83 | MAPT (0.44) | ALDH1A1MAPTSMN1; SMN2KDM4ETP53 | |
| SCHEMBL6313198 | 0.83 | ALDH1A1 (0.55) | ALDH1A1MAPTSMN1; SMN2KDM4ETP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6890930-B1 | Quinazolinones | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2005-05-10 | — | — | US | disclosed |
| EP-1216235-A1 | QUINAZOLINONES | MERCK PATENT GmbH (DE) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001023365-A1 | QUINAZOLINONES | MERCK PATENT GMBH (DE) | 2001-04-05 | — | — | WO | disclosed |