Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.50 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MDM4 | O15151 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22797019 | 0.78 | DRD2 (0.49) | DRD2DRD3KCNH2NOTUMHDAC4 | |
| SCHEMBL16786522 | 0.76 | DRD2 (0.50) | DRD2DRD3KCNH2NOTUMHDAC4 | |
| SCHEMBL25669485 | 0.75 | DRD2 (0.44) | DRD2DRD3KCNH2NOTUMHDAC4 | |
| SCHEMBL21349070 | 0.75 | DRD2 (0.60) | DRD2DRD3KCNH2NOTUMHDAC4 | |
| SCHEMBL14340686 | 0.75 | DRD2 (0.47) | DRD2DRD3KCNH2NOTUMHDAC4 | |
| SCHEMBL12545656 | 0.75 | ALDH1A1 (0.57) | DRD2DRD3KCNH2NOTUMHPGD | |
| SCHEMBL21348448 | 0.74 | DRD2 (0.55) | DRD2DRD3KCNH2NOTUMHDAC4 | |
| SCHEMBL10224198 | 0.74 | ALDH1A1 (0.52) | DRD2DRD3KCNH2NOTUMHPGD | |
| SCHEMBL12545834 | 0.74 | DRD2 (0.46) | DRD2DRD3KCNH2NOTUMHDAC4 | |
| SCHEMBL23134683 | 0.73 | CRBN (0.64) | DRD2DRD3KCNH2NOTUMHDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2632255-B1 | DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | claimed |