Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | MC3R | P41968 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14250161 | 0.82 | — | — | |
| SCHEMBL30339210 | 0.82 | — | — | |
| SCHEMBL7710964 | 0.80 | KDM4E (0.35) | KDM4ERXFP1CCR2KCNH2MAPT | |
| SCHEMBL2542233 | 0.80 | MAPT (0.43) | KDM4ERXFP1CCR2KCNH2MAPT | |
| SCHEMBL2542236 | 0.80 | MAPT (0.43) | KDM4ERXFP1CCR2KCNH2MAPT | |
| SCHEMBL2539883 | 0.79 | GAA (0.48) | KDM4EMAPTKMT2AGAAELANE | |
| SCHEMBL2539884 | 0.79 | GAA (0.48) | KDM4EMAPTKMT2AGAAELANE | |
| SCHEMBL16803043 | 0.78 | ABL1 (0.40) | KDM4ECCR2KCNH2MAPTABL1 | |
| SCHEMBL16803091 | 0.78 | ABL1 (0.40) | KDM4ECCR2KCNH2MAPTABL1 | |
| SCHEMBL19658657 | 0.78 | CYP2C9 (0.46) | KDM4ECYP2C9EPHX2NAMPTPDE10A |
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-2011131596-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-27 | — | — | WO | disclosed |