Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.48 |
| ▸ | USP2 | O75604 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | LIMK2 | P53671 | 5/20 | 0.46 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13144381 | 0.89 | ADORA3 (0.47) | CYP3A4CYP2D6CYP1A2ADORA3LIMK2 | |
| SCHEMBL3081057 | 0.84 | CYP3A4 (0.53) | CYP3A4CYP2D6MEN1KMT2AADORA3 | |
| SCHEMBL16628732 | 0.83 | APP (0.52) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| SCHEMBL3090418 | 0.82 | SCD5 (0.52) | CYP3A4CYP2D6MEN1KMT2AALDH1A1 | |
| SCHEMBL16628768 | 0.81 | ADORA2A (0.54) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| SCHEMBL13144394 | 0.81 | KDM4E (0.48) | CYP3A4CYP2D6TSHRKMT2AADORA3 | |
| SCHEMBL16628770 | 0.81 | HPGD (0.55) | CYP3A4CYP2D6MEN1LMNAKMT2A | |
| SCHEMBL16628737 | 0.80 | TACR1 (0.54) | — | |
| SCHEMBL13144374 | 0.78 | AOC3 (0.46) | CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL16628712 | 0.77 | ADORA3 (0.56) | ALDH1A1ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2164833-B1 | Quinazolinamide derivatives useful for the treatment of tumour diseases | MERCK PATENT GMBH (DE) | 2015-04-15 | — | — | EP | claimed |