Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.38 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9640183 | 0.79 | SIRT6 (0.47) | ELANEDRD2DRD4DRD3ACHE | |
| Hydrochloric Acid SCHEMBL9639460 | 0.78 | SIRT6 (0.46) | ELANEDRD2DRD4DRD3ACHE | |
| SCHEMBL30416768 | 0.71 | SIRT6 (0.50) | ELANEDRD2SIRT6TRPV1 | |
| SCHEMBL29923754 | 0.71 | KCNH2 (0.46) | ELANEDRD2DRD4DRD3ACHE | |
| SCHEMBL9755214 | 0.68 | ACHE (0.46) | ELANEDRD2DRD4DRD3ACHE | |
| SCHEMBL9639628 | 0.66 | PARP1 (0.49) | DRD2DRD4 | |
| SCHEMBL9755212 | 0.66 | SIRT6 (0.46) | ELANEDRD2DRD4DRD3ACHE | |
| SCHEMBL17503340 | 0.66 | RAPGEF4 (0.59) | GRM4SMN1; SMN2PTGS1 | |
| SCHEMBL9689554 | 0.65 | AURKA (0.40) | DRD2DRD4DRD3CYP3A4 | |
| Hydrochloric Acid SCHEMBL9755197 | 0.65 | PARP1 (0.48) | DRD2DRD4 |
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-1991006542-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1991-05-16 | — | — | WO | claimed |