Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 4/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CHRND | Q07001 | 1/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16954663 | 0.70 | CYP11B2 (0.50) | CYP11B2CYP11B1ALDH1A1CYP2A6CHRNA1 | |
| SCHEMBL30963 | 0.69 | CYP11B2 (0.46) | CYP11B2CYP11B1ALDH1A1CYP2A6CHRNA1 | |
| SCHEMBL10088668 | 0.68 | CYP11B2 (0.49) | CYP11B2CYP11B1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL14290362 | 0.68 | CYP11B2 (0.49) | CYP11B2CYP11B1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL24385162 | 0.67 | HTR2C (0.41) | ALDH1A1CYP2A6MEN1KMT2A | |
| SCHEMBL11894025 | 0.67 | CYP11B2 (0.44) | CYP11B2CYP11B1ALDH1A1CYP2A6CHRNA1 | |
| SCHEMBL1436903 | 0.66 | CYP2A6 (0.52) | CYP11B2CYP11B1ALDH1A1CYP2A6EGLN2 | |
| SCHEMBL29814587 | 0.66 | CYP2A6 (0.52) | CYP11B2CYP11B1ALDH1A1CYP2A6EGLN2 | |
| SCHEMBL2175583 | 0.66 | HTR2C (0.54) | CYP11B2CYP11B1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL11221617 | 0.66 | CYP11B2 (0.46) | CYP11B2CYP11B1ALDH1A1CYP2A6CHRNA1 |
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-2012002502-A1 | DIHYDROPYRIMIDINONE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | 大日本住友製薬株式会社 (JP) | 2012-01-05 | — | — | WO | disclosed |