Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | RARA | P10276 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | RARG | P13631 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5020247 | 0.75 | SCN2A (0.46) | NPC1KDM4ERAB9ANISCHPOLB | |
| SCHEMBL96684 | 0.75 | RARA (0.61) | NPC1ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL28321639 | 0.74 | IDO1 (0.44) | NPC1ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL28321641 | 0.74 | MAPT (0.41) | NPC1ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL16399216 | 0.73 | NPC1 (0.42) | NPC1ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL9629255 | 0.73 | KDM4E (0.59) | ALDH1A1GAAMAPTKDM4EMEN1 | |
| SCHEMBL8919336 | 0.73 | NPC1 (0.57) | NPC1ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL16398903 | 0.72 | NPC1 (0.48) | NPC1ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL16399089 | 0.72 | NPC1 (0.39) | NPC1ALDH1A1GAAMAPTKDM4E | |
| Hydrochloric Acid SCHEMBL5017253 | 0.71 | NPC1 (0.56) | NPC1ALDH1A1GAAMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-105408325-B | cyanotriazole compounds | 大塚制药株式会社 | 2019-10-22 | — | — | CN | claimed |
| CN-105408325-B | cyanotriazole compounds | 大塚制药株式会社 | 2019-10-22 | — | — | CN | disclosed |