Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | HPGD | P15428 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | POLB | P06746 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | DHFR | P00374 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL6313394 | 1.00 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTHPGDMEN1 | |
| SCHEMBL7554205 | 0.89 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTHPGDMEN1 | |
| SCHEMBL6313534 | 0.89 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTHPGDMEN1 | |
| SCHEMBL6314814 | 0.89 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTHPGDMEN1 | |
| SCHEMBL6314815 | 0.89 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTHPGDMEN1 | |
| SCHEMBL6307421 | 0.88 | MAPT (0.45) | ALDH1A1KDM4EMAPTHPGDMEN1 | |
| SCHEMBL6307424 | 0.88 | MAPT (0.45) | ALDH1A1KDM4EMAPTHPGDMEN1 | |
| SCHEMBL6315023 | 0.85 | ALDH1A1 (0.66) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL6315019 | 0.85 | ALDH1A1 (0.66) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL6308552 | 0.84 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTHPGDMEN1 |
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 |