Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 4/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | ELANE | P08246 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | GLA | P06280 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 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 | |
|---|---|---|---|---|
| SCHEMBL6608080 | 0.87 | ALDH1A1 (0.40) | CYP11B2CYP11B1ELANECYP2C9ALDH1A1 | |
| SCHEMBL6607779 | 0.85 | MEN1 (0.37) | CYP11B2CYP11B1ELANEALDH1A1SMN1; SMN2 | |
| SCHEMBL6609381 | 0.84 | CACNA1C (0.41) | CYP11B2CYP11B1ELANECYP2C9ALDH1A1 | |
| SCHEMBL6312851 | 0.81 | ALDH1A1 (0.46) | CYP11B2CYP11B1PARP1ALDH1A1KDM4E | |
| SCHEMBL6606626 | 0.80 | CYP11B2 (0.38) | CYP11B2CYP11B1ELANECYP2C9ALDH1A1 | |
| SCHEMBL6311789 | 0.79 | ALDH1A1 (0.42) | CYP11B2CYP11B1ELANECYP2C9ALDH1A1 | |
| SCHEMBL6137082 | 0.77 | TDP1 (0.50) | ELANECYP2C9ALDH1A1 | |
| SCHEMBL6137118 | 0.75 | HTT (0.43) | ELANECYP2C9ALDH1A1HPGDHTT | |
| SCHEMBL6609236 | 0.73 | ELANE (0.45) | ELANECYP2C9NPSR1CASP1CACNA1C | |
| SCHEMBL6137365 | 0.73 | ELANE (0.40) | ELANECYP2C9ALDH1A1KDM4EGAA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1373223-A4 | CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES | BRISTOL MYERS SQUIBB CO (US) | 2004-09-29 | — | — | EP | claimed |
| EP-1373223-A1 | CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES | Bristol-Myers Squibb Company (US) | 2004-01-02 | — | — | EP | claimed |
| WO-2002079169-A1 | CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-10-10 | — | — | WO | claimed |
| EP-1373223-A4 | CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES | BRISTOL MYERS SQUIBB CO (US) | 2004-09-29 | — | — | EP | disclosed |
| EP-1373223-A1 | CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES | Bristol-Myers Squibb Company (US) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002079169-A1 | CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-10-10 | — | — | WO | disclosed |