Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ECE1 | P42892 | 1/20 | 0.32 |
| ▸ | MME | P08473 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | CPA1 | P15085 | 1/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 2/20 | 0.31 |
| ▸ | GABRD | O14764 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4525716 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CYP2D6SMN1; SMN2LMNAMAPT | |
| SCHEMBL4525715 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CYP2D6SMN1; SMN2LMNAMAPT | |
| SCHEMBL13637008 | 0.72 | ALDH1A1 (0.46) | ALDH1A1CYP2D6SMN1; SMN2CTH | |
| SCHEMBL21308279 | 0.71 | ALDH1A1 (0.41) | ALDH1A1CYP2D6SMN1; SMN2LMNAMAPT | |
| SCHEMBL20156652 | 0.70 | ADH1B (0.37) | — | |
| SCHEMBL7069815 | 0.67 | — | — | |
| SCHEMBL11521413 | 0.67 | — | — | |
| SCHEMBL4532391 | 0.67 | ALDH1A1 (0.44) | ALDH1A1CYP2D6SMN1; SMN2LMNAMAPT | |
| SCHEMBL4532387 | 0.67 | ALDH1A1 (0.44) | ALDH1A1CYP2D6SMN1; SMN2LMNAMAPT | |
| SCHEMBL22702133 | 0.66 | ADH1B (0.46) | ALDH1A1SMN1; SMN2MAPT |
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-3478674-B1 | 4,6-DIAMINOQUINAZOLINES AS COT MODULATORS AND METHODS OF USE THEREOF | GILEAD SCIENCES INC (US) | 2020-05-13 | — | — | EP | disclosed |