Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29172956 | 0.80 | ALDH1A1 (0.45) | ALDH1A1LMNASMN1; SMN2MAPTHTT | |
| SCHEMBL8775840 | 0.78 | NPC1 (0.54) | ALDH1A1LMNAMAPTCYP1A2NPC1 | |
| SCHEMBL19643648 | 0.73 | P2RX7 (0.32) | ALDH1A1SMN1; SMN2MAPTHTTNPC1 | |
| SCHEMBL8682235 | 0.73 | NPC1 (0.42) | ALDH1A1LMNASMN1; SMN2MAPTHTT | |
| SCHEMBL5906335 | 0.73 | ALDH1A1 (0.40) | ALDH1A1LMNASMN1; SMN2MAPTHTT | |
| SCHEMBL5906387 | 0.72 | MGLL (0.44) | ALDH1A1SMN1; SMN2MAPTHTTCYP1A2 | |
| SCHEMBL30712345 | 0.72 | MGLL (0.47) | ALDH1A1NPBWR1MEN1KMT2AGAA | |
| SCHEMBL8977221 | 0.72 | SMN1; SMN2 (0.47) | ALDH1A1LMNASMN1; SMN2MAPTHTT | |
| SCHEMBL16283450 | 0.72 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2MAPTHTTCYP2C19 | |
| SCHEMBL19643603 | 0.72 | CYP2C9 (0.40) | ALDH1A1SMN1; SMN2MAPTRAB9ANPBWR1 |
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-2008060578-A2 | 3-ARYL-6-ARYL-[1,2,4] TRIAZOLO[3,4-B][1,3,4] THIADIAZOLES AND RELATED COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | CYTOVIA, INC. (US) | 2008-05-22 | — | — | WO | disclosed |