Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CD44 | P16070 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29796121 | 0.82 | ALDH1A1 (0.61) | ALDH1A1GAAMAPTCD44CYP3A4 | |
| SCHEMBL11562840 | 0.82 | ALDH1A1 (0.45) | ALDH1A1GAAMAPTCD44CYP3A4 | |
| SCHEMBL11049030 | 0.82 | CD44 (0.44) | ALDH1A1GAAMAPTCD44CYP3A4 | |
| SCHEMBL10944970 | 0.82 | CD44 (0.44) | ALDH1A1GAAMAPTCD44CYP3A4 | |
| SCHEMBL7289038 | 0.82 | ALDH1A1 (0.61) | ALDH1A1GAAMAPTCD44CYP3A4 | |
| SCHEMBL23213487 | 0.80 | ALDH1A1 (0.59) | ALDH1A1GAAMAPTCD44CYP3A4 | |
| SCHEMBL27901973 | 0.80 | ALDH1A1 (0.48) | ALDH1A1GAAMAPTCD44CYP3A4 | |
| SCHEMBL7476573 | 0.80 | CD44 (0.48) | ALDH1A1GAAMAPTCD44CYP3A4 | |
| SCHEMBL11843163 | 0.77 | CD44 (0.44) | ALDH1A1GAAMAPTCD44CYP3A4 | |
| SCHEMBL21631556 | 0.76 | ALDH1A1 (0.45) | ALDH1A1GAAMAPTCD44CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6936607-B2 | 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety | H. LUNOBECK A/S (DK) | 2005-08-30 | — | — | US | disclosed |