Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | SOD1 | P00441 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28057541 | 0.77 | GPR84 (0.47) | GPR84KCNH2MEN1KMT2ATDP1 | |
| SCHEMBL28057576 | 0.73 | MMP13 (0.46) | GPR84KCNH2MEN1KMT2ATDP1 | |
| SCHEMBL10343807 | 0.71 | L3MBTL1 (0.48) | GPR84KCNH2DRD2DRD4DRD3 | |
| SCHEMBL28057539 | 0.70 | GPR84 (0.42) | GPR84KCNH2TDP1SMN1; SMN2NPC1 | |
| SCHEMBL9441058 | 0.69 | HRH3 (0.49) | DRD2DRD4DRD3SMN1; SMN2ALDH1A1 | |
| Parachlorophenol SCHEMBL10822064 | 0.68 | KDM4E (0.46) | GPR84DRD2DRD4DRD3TDP1 | |
| SCHEMBL28306548 | 0.68 | SRC (0.34) | — | |
| SCHEMBL20807412 | 0.67 | SMN1; SMN2 (0.45) | GPR84KCNH2DRD2DRD4DRD3 | |
| SCHEMBL28307566 | 0.66 | SRC (0.33) | — | |
| SCHEMBL28261194 | 0.65 | TAAR1 (0.46) | GPR84KCNH2MEN1KMT2ADRD2 |
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-105431416-B | 4- alkynyl imdazole derivatives and contain its drug as effective component | 科研制药株式会社 | 2019-01-08 | — | — | CN | disclosed |