Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 8/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9541565 | 0.83 | AKR1B1 (0.51) | AKR1B1BRD4MAPTKMT2A | |
| SCHEMBL11392587 | 0.83 | AKR1B1 (0.51) | AKR1B1BRD4MAPTKMT2AALDH1A1 | |
| SCHEMBL9541567 | 0.80 | AKR1B1 (0.54) | AKR1B1BRD4MAPTCYP2C19KMT2A | |
| SCHEMBL2469467 | 0.78 | HTT (0.38) | AKR1B1HTTSMN1; SMN2RAB9ACYP1A2 | |
| SCHEMBL9539078 | 0.77 | AKR1B1 (0.48) | AKR1B1HTTSMN1; SMN2RAB9ABRD4 | |
| SCHEMBL24281860 | 0.74 | HTT (0.56) | HTTSMN1; SMN2RAB9ABRD4CYP1A2 | |
| SCHEMBL2468857 | 0.69 | AKR1B1 (0.40) | AKR1B1HTTSMN1; SMN2RAB9ACYP1A2 | |
| SCHEMBL13098109 | 0.69 | AKR1B1 (0.39) | AKR1B1HTTSMN1; SMN2RAB9ABRD4 | |
| SCHEMBL11882562 | 0.69 | MDM2 (0.54) | AKR1B1KMT2A | |
| SCHEMBL2467262 | 0.68 | AKR1B1 (0.38) | AKR1B1HTTSMN1; SMN2RAB9ABRD4 |
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 |