Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | PTGES | O14684 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28606009 | 0.85 | CYP3A4 (0.50) | CYP3A4ACHEHPGDCA12CA1 | |
| SCHEMBL28284531 | 0.83 | CYP3A4 (0.50) | CYP3A4ACHEHPGDPTGESPTPN1 | |
| Atraric Acid SCHEMBL113732 | 0.81 | CYP3A4 (0.59) | CYP3A4ACHEHPGDPTGESPTPN1 | |
| Atraric Acid SCHEMBL29357076 | 0.81 | CYP3A4 (0.59) | CYP3A4ACHEHPGDPTGESPTPN1 | |
| SCHEMBL2662948 | 0.81 | CYP3A4 (0.62) | CYP3A4ACHEHPGDPTGESPTPN1 | |
| SCHEMBL18677515 | 0.79 | CYP3A4 (0.58) | CYP3A4ACHEHPGDPTPN1POLB | |
| SCHEMBL16191681 | 0.79 | CYP3A4 (0.56) | CYP3A4ACHEHPGDPTGESPTPN1 | |
| SCHEMBL18311403 | 0.79 | CYP3A4 (0.56) | CYP3A4ACHEHPGDPTGESPTPN1 | |
| SCHEMBL12587643 | 0.79 | CYP3A4 (0.57) | CYP3A4ACHEHPGDPTGESPTPN1 | |
| SCHEMBL12554417 | 0.77 | CYP3A4 (0.58) | CYP3A4ACHEHPGDPTGESPTPN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4076810-A | Benzylpyrimidine antibacterial composition | HOFFMANN-LA ROCHE INC. (US) | 1978-02-28 | — | — | US | disclosed |
| US-4024145-A | Benzylpyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1977-05-17 | — | — | US | disclosed |