Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CNKSR1 | Q969H4 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28275876 | 0.78 | ALDH1A1 (0.48) | CYP3A4CYP1A1CYP1A2CYP1B1CA9 | |
| SCHEMBL6850895 | 0.76 | MAPT (0.42) | POLBL3MBTL1MAPTCYP3A4CNKSR1 | |
| SCHEMBL5235917 | 0.76 | MAPT (0.34) | POLBL3MBTL1MAPTCYP3A4CNKSR1 | |
| SCHEMBL7655795 | 0.72 | ACHE (0.59) | L3MBTL1MAPTCYP3A4CYP1A1CYP1A2 | |
| SCHEMBL7818774 | 0.71 | ALDH1A1 (0.53) | MAPTCYP1A1CYP1A2CYP1B1NPSR1 | |
| SCHEMBL5623782 | 0.71 | ENPP2 (0.39) | MAPTCYP3A4CNKSR1CA1CA2 | |
| SCHEMBL16245222 | 0.70 | PKM (0.52) | POLBL3MBTL1MAPTCYP3A4CYP1A2 | |
| SCHEMBL4311047 | 0.70 | CA1 (0.52) | POLBL3MBTL1MAPTCYP3A4CYP1A1 | |
| SCHEMBL5208181 | 0.70 | CNKSR1 (0.35) | POLBL3MBTL1MAPTCYP3A4CNKSR1 | |
| SCHEMBL20970902 | 0.69 | HTR2A (0.65) | CYP3A4CYP1A2HTR2AATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0003212-A1 | 2.4-Diamino-5-benzylpyrimidines, pharmaceutical compositions containing them and their preparation | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-08-08 | — | — | EP | disclosed |