Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28434070 | 0.99 | HRH3 (0.56) | HRH3CYP1A2CYP2D6MAPK1CYP2C19 | |
| SCHEMBL28436689 | 0.96 | HRH3 (0.63) | HRH3CYP1A2CYP2D6MAPK1CYP2C19 | |
| SCHEMBL28438404 | 0.95 | HRH3 (0.61) | HRH3CYP1A2CYP2D6MAPK1CYP2C19 | |
| SCHEMBL28425585 | 0.89 | ALDH1A1 (0.55) | HRH3SMN1; SMN2NPC1RAB9AHTT | |
| SCHEMBL28431389 | 0.85 | RAB9A (0.58) | HRH3SMN1; SMN2NPC1RAB9AHTT | |
| SCHEMBL28895215 | 0.85 | RAB9A (0.54) | HRH3SMN1; SMN2NPC1RAB9AHTT | |
| SCHEMBL28428242 | 0.84 | HRH3 (0.57) | HRH3CYP1A2CYP2D6MAPK1CYP2C19 | |
| SCHEMBL28428261 | 0.82 | HRH3 (0.56) | HRH3CYP1A2CYP2D6MAPK1CYP2C19 | |
| SCHEMBL28895873 | 0.82 | RAB9A (0.57) | HRH3NPC1RAB9ASIRT2TSHR | |
| SCHEMBL28428361 | 0.81 | HRH3 (0.57) | HRH3CYP1A2CYP2D6MAPK1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111320617-A | Phenyl oxadiazole derivative and preparation method and application thereof | 华中科技大学 | 2020-06-23 | — | — | CN | disclosed |