Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13555267 | 0.87 | ALDH1A1 (0.52) | ALDH1A1TDP1L3MBTL1MAPTPOLB | |
| SCHEMBL14764513 | 0.85 | L3MBTL1 (0.46) | ALDH1A1TDP1L3MBTL1SMN1; SMN2POLB | |
| SCHEMBL5115398 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL5115395 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL14764670 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2 | |
| Oxalic Acid SCHEMBL20984871 | 0.78 | ALDH1A1 (0.53) | ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL624954 | 0.77 | PKM (0.47) | ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL3449044 | 0.77 | ALDH1A1 (0.56) | ALDH1A1TDP1L3MBTL1MAPTPOLB | |
| SCHEMBL6930910 | 0.76 | ALDH1A1 (0.62) | ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL20984873 | 0.76 | ALDH1A1 (0.54) | ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2 |
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 |