Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | DHFR | P00374 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | RAD1 | O60671 | 1/20 | 0.51 |
| ▸ | CFTR | P13569 | 1/20 | 0.51 |
| ▸ | APEX1 | P27695 | 1/20 | 0.51 |
| ▸ | CASP6 | P55212 | 1/20 | 0.51 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.51 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.51 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6315023 | 1.00 | ALDH1A1 (0.66) | ALDH1A1TP53DHFRSMN1; SMN2KDM4E | |
| SCHEMBL7554195 | 0.91 | ALDH1A1 (0.55) | ALDH1A1TP53DHFRSMN1; SMN2KDM4E | |
| SCHEMBL7554190 | 0.91 | ALDH1A1 (0.55) | ALDH1A1TP53DHFRSMN1; SMN2KDM4E | |
| SCHEMBL6306040 | 0.88 | ALDH1A1 (0.69) | ALDH1A1TP53SMN1; SMN2KDM4ELMNA | |
| SCHEMBL6306043 | 0.88 | ALDH1A1 (0.69) | ALDH1A1TP53SMN1; SMN2KDM4ELMNA | |
| SCHEMBL6313969 | 0.88 | ALDH1A1 (0.58) | ALDH1A1TP53DHFRSMN1; SMN2KDM4E | |
| SCHEMBL6313965 | 0.88 | ALDH1A1 (0.58) | ALDH1A1TP53DHFRSMN1; SMN2KDM4E | |
| SCHEMBL6313191 | 0.87 | ALDH1A1 (0.55) | ALDH1A1TP53SMN1; SMN2KDM4ELMNA | |
| SCHEMBL6313198 | 0.87 | ALDH1A1 (0.55) | ALDH1A1TP53SMN1; SMN2KDM4ELMNA | |
| SCHEMBL6313392 | 0.85 | ALDH1A1 (0.52) | ALDH1A1TP53DHFRSMN1; 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 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 |