Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6572932 | 0.91 | ALDH1A1 (0.61) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL7880310 | 0.85 | ALDH1A1 (0.55) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL17798624 | 0.82 | ALDH1A1 (0.61) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL28080744 | 0.81 | ALDH1A1 (0.55) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL6576446 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL9679306 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL5943351 | 0.77 | ALDH1A1 (0.55) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL20109817 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| SCHEMBL735278 | 0.77 | ALDH1A1 (0.59) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 | |
| Benzyl Carbamate SCHEMBL1697 | 0.77 | ALDH1A1 (0.63) | ALDH1A1TDP1MAPK1L3MBTL1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1153024-B1 | 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS | NOVARTIS AG (CH) | 2004-04-28 | — | — | EP | claimed |
| EP-0874846-B1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 2003-04-02 | — | — | EP | claimed |