Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.43 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.43 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CCND2 | P30279 | 1/20 | 0.43 |
| ▸ | CCND3 | P30281 | 1/20 | 0.43 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.43 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4795814 | 0.86 | ALDH1A1 (0.46) | POLBALDH1A1CCNB2CCNE2CDK1 | |
| SCHEMBL11127625 | 0.81 | ADRB1 (0.35) | ALDH1A1CDK4CCND1RECQLSMN1; SMN2 | |
| SCHEMBL29093825 | 0.81 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2LMNAKDM4EL3MBTL1 | |
| SCHEMBL10621833 | 0.80 | KMO (0.57) | POLBALDH1A1SMN1; SMN2LMNAMAPT | |
| SCHEMBL3672244 | 0.80 | PLK1 (0.41) | RECQLSMN1; SMN2TDP1LMNAHPGD | |
| SCHEMBL7569439 | 0.79 | RECQL (0.42) | ALDH1A1RECQLSMN1; SMN2LMNATSHR | |
| SCHEMBL12862551 | 0.79 | SMN1; SMN2 (0.45) | POLBALDH1A1CDK4CCND1CCND2 | |
| SCHEMBL12892164 | 0.78 | GRIN1 (0.41) | ALDH1A1TSHRKDM4EHSD17B10TP53 | |
| SCHEMBL29094008 | 0.78 | TLR8 (0.37) | ALDH1A1CCNB2CCNE2CDK1FGFR1 | |
| Iodide SCHEMBL10619045 | 0.78 | KMO (0.56) | POLBALDH1A1SMN1; SMN2LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993004047-A1 | QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1993-03-04 | — | — | WO | disclosed |