Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.37 |
| ▸ | CCR5 | P51681 | 2/20 | 0.37 |
| ▸ | CCR8 | P51685 | 2/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | CCNK | O75909 | 2/20 | 0.32 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | NOS2 | P35228 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7901818 | 0.75 | DYRK1A (0.33) | CCR1CCR5CCR8DYRK1ANOS3 | |
| SCHEMBL12463600 | 0.73 | DAO (0.31) | CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL25678461 | 0.72 | CCR1 (0.33) | CCR1CCR5CCR8DYRK1A | |
| SCHEMBL24393074 | 0.70 | EGFR (0.40) | CCR1CCR5CCR8CYP1A2CYP17A1 | |
| SCHEMBL8887892 | 0.69 | MAP4K4 (0.40) | NOS3NOS2 | |
| SCHEMBL23109069 | 0.68 | — | — | |
| SCHEMBL24917666 | 0.68 | PIK3C3 (0.35) | DYRK1ANOS3NOS2CYP1A2POLB | |
| SCHEMBL23589214 | 0.66 | EGFR (0.37) | CCR1CCR5CCR8CYP1A2POLB | |
| SCHEMBL23679319 | 0.64 | BRD9 (0.32) | — | |
| SCHEMBL24393075 | 0.63 | CYP1A2 (0.34) | CYP1A2CYP17A1POLBCYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-8546406-B2 | Heterocyclic compounds as metap-2 inhibitors | MERCK PATENT GMBH (DE) | 2013-10-01 | — | — | US | disclosed |
| WO-2010083870-A1 | NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS | MERCK PATENT GMBH (DE) | 2010-07-29 | — | — | WO | disclosed |