Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.35 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL956811 | 0.78 | BRD4 (0.43) | BRD4KCNH2CALM1HMGCRALDH1A1 | |
| SCHEMBL955189 | 0.77 | BRD4 (0.45) | BRD4KCNH2CALM1HMGCRALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL27432333 | 0.76 | BRD4 (0.47) | BRD4KCNH2CALM1ALDH1A1 | |
| SCHEMBL11330543 | 0.75 | KCNH2 (0.62) | BRD4KCNH2CALM1ALDH1A1POLB | |
| SCHEMBL3406550 | 0.74 | KCNH2 (0.41) | BRD4KCNH2CALM1HMGCRALDH1A1 | |
| SCHEMBL13670084 | 0.73 | BRD4 (0.45) | BRD4KCNH2CALM1HMGCRALDH1A1 | |
| SCHEMBL5106055 | 0.71 | BRD4 (0.53) | BRD4KCNH2CALM1ALDH1A1KDM4E | |
| SCHEMBL13670464 | 0.70 | BRD4 (0.42) | BRD4KCNH2CALM1HMGCRALDH1A1 | |
| SCHEMBL3405966 | 0.69 | NOS3 (0.43) | ALDH1A1KDM4ERAB9ASMN1; SMN2TSHR | |
| SCHEMBL25205794 | 0.67 | BRD4 (0.49) | BRD4KCNH2CALM1ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2254896-A1 | METAL COMPLEXES | Merck Patent GmbH (DE) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009118087-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2009-10-01 | — | — | WO | disclosed |