Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.45 |
| ▸ | ALPL | P05186 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11392587 | 0.80 | AKR1B1 (0.51) | AKR1B1ALDH1A1L3MBTL1MAPTALPL | |
| SCHEMBL9540134 | 0.80 | AKR1B1 (0.51) | AKR1B1ALDH1A1CYP2C19MAPTKMT2A | |
| SCHEMBL9541565 | 0.80 | AKR1B1 (0.51) | AKR1B1MAPTMDM2MEN1KMT2A | |
| SCHEMBL9539832 | 0.79 | AKR1B1 (0.51) | AKR1B1ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28227469 | 0.77 | ALDH1A1 (0.57) | AKR1B1ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14691602 | 0.71 | SNCA (0.51) | AKR1B1ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11842027 | 0.71 | ALPL (0.45) | AKR1B1ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11851382 | 0.71 | NPC1 (0.49) | AKR1B1ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10775957 | 0.70 | AKR1B1 (1.00) | AKR1B1 | |
| SCHEMBL14691284 | 0.69 | SNCA (0.55) | AKR1B1ALDH1A1CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1071917-A | Quinazoline derivant as human immunodeficiency virus reversed transcriptive enzyme antagonist | MERCK & CO INC (US) | 1993-05-12 | — | — | CN | disclosed |
| 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 |