Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | AHR | P35869 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | GCGR | P47871 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5344839 | 0.88 | CYP1A2 (0.34) | ALDH1A1MAPK1AHRMEN1NPC1 | |
| SCHEMBL358844 | 0.79 | ESR1 (0.40) | ALDH1A1MAPK1MEN1NPC1RAB9A | |
| SCHEMBL358614 | 0.78 | CYP1A2 (0.48) | ALDH1A1MAPK1MEN1NPC1RAB9A | |
| SCHEMBL359663 | 0.75 | HRH3 (0.46) | — | |
| SCHEMBL358041 | 0.75 | NOTUM (0.34) | — | |
| SCHEMBL7123909 | 0.75 | HPGD (0.42) | ALDH1A1NPC1RAB9A | |
| SCHEMBL3869855 | 0.71 | ALDH1A1 (0.55) | ALDH1A1MAPK1AHRMEN1NPC1 | |
| SCHEMBL11080352 | 0.71 | MAPK1 (0.38) | ALDH1A1MAPK1MEN1KMT2ANPSR1 | |
| SCHEMBL28495986 | 0.71 | APP (0.32) | ALDH1A1MAPK1 | |
| SCHEMBL28540008 | 0.71 | TRPV1 (0.41) | ALDH1A1MAPK1AHR |
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-108368107-B | Fused heterocyclic compounds as S1P modulators | 艾伯维公司 | 2021-11-26 | — | — | CN | disclosed |
| CN-108424377-B | Method for synthesizing asymmetric azoxybenzene compound | 温州大学 | 2021-02-19 | — | — | CN | disclosed |