Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.37 |
| ▸ | MITF | O75030 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9571267 | 0.86 | ALDH1A1 (0.36) | USP2ALDH1A1TP53POLBGAA | |
| SCHEMBL9539722 | 0.79 | AKR1B1 (0.50) | GAAMAPTAKR1B1CYP2C19TSHR | |
| SCHEMBL9571265 | 0.74 | AKR1B1 (0.47) | POLBAKR1B1MITFMEN1KMT2A | |
| Methetoin SCHEMBL80506 | 0.73 | LMNA (0.53) | POLBTDP1MITFMEN1KMT2A | |
| SCHEMBL9540174 | 0.70 | AKR1B1 (0.42) | ALDH1A1GAAMAPTALOX15AKR1B1 | |
| SCHEMBL9539047 | 0.69 | AKR1B1 (0.48) | GAAMAPTAKR1B1PGRBRD4 | |
| SCHEMBL9539805 | 0.68 | PGR (0.41) | ALDH1A1MAPTAKR1B1MEN1KMT2A | |
| SCHEMBL4594261 | 0.65 | AKR1B1 (0.43) | GAAMAPTAKR1B1MEN1KMT2A | |
| SCHEMBL9571341 | 0.64 | AKR1B1 (0.45) | GAAMAPTAKR1B1MEN1KMT2A | |
| SCHEMBL9539014 | 0.64 | AKR1B1 (0.40) | GAAMAPTAKR1B1MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0530994-A1 | Quinazoline derivatives as inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1993-03-10 | — | — | EP | disclosed |
| WO-1993004047-A1 | QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1993-03-04 | — | — | WO | disclosed |