Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 1/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.42 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.41 |
| ▸ | SELE | P16581 | 1/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9363429 | 0.80 | RAB9A (0.56) | SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL2905639 | 0.78 | SMN1; SMN2 (0.56) | SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL16892923 | 0.74 | SMN1; SMN2 (0.51) | SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL4707233 | 0.74 | KDM4E (0.50) | KDM4EALDH1A1MAPTICAM1SELE | |
| SCHEMBL9451520 | 0.74 | CYP19A1 (0.58) | SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL2095209 | 0.74 | CYP1A2 (0.63) | SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL2095205 | 0.74 | CYP1A2 (0.58) | SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL28755979 | 0.74 | SMN1; SMN2 (0.59) | SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL9363559 | 0.74 | CYP1A2 (0.51) | SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL1162955 | 0.74 | ICAM1 (0.40) | SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6 |
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-2464228-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | Merck Sharp & Dohme Corp. (US) | 2012-06-20 | — | — | EP | disclosed |