Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | NQO2 | P16083 | 6/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | PKMYT1 | Q99640 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PRNP | P04156 | 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 | |
|---|---|---|---|---|
| SCHEMBL14764386 | 0.93 | ALDH1A1 (0.42) | ALDH1A1TDP1PDPK1NR1H2NR1H3 | |
| SCHEMBL30217825 | 0.93 | ALDH1A1 (0.42) | ALDH1A1TDP1PDPK1NR1H2NR1H3 | |
| SCHEMBL15228704 | 0.84 | TDP1 (0.52) | ALDH1A1TDP1PDPK1BACE1NQO2 | |
| SCHEMBL30217623 | 0.84 | MAPT (0.44) | ALDH1A1TDP1BACE1NQO2PKMYT1 | |
| SCHEMBL2513088 | 0.84 | MAPT (0.44) | ALDH1A1TDP1BACE1NQO2PKMYT1 | |
| SCHEMBL2318402 | 0.81 | NR1H2 (0.46) | TDP1L3MBTL1NR1H2NR1H3PIM1 | |
| SCHEMBL14764520 | 0.81 | MAPT (0.44) | ALDH1A1TDP1L3MBTL1PIM1PIM2 | |
| SCHEMBL27763044 | 0.81 | TDP1 (0.41) | ALDH1A1TDP1BACE1NQO2PKMYT1 | |
| SCHEMBL13313310 | 0.78 | ACHE (0.61) | ALDH1A1TDP1L3MBTL1PIM1PIM2 | |
| SCHEMBL14764585 | 0.78 | TDP1 (0.40) | ALDH1A1TDP1L3MBTL1NR1H2NR1H3 |
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-2013034755-A1 | TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS | H. LUNDBECK A/S (DK) | 2013-03-14 | — | — | WO | disclosed |