Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ICAM1 | P05362 | 1/20 | 0.40 |
| ▸ | SELE | P16581 | 1/20 | 0.40 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9943543 | 0.74 | SMN1; SMN2 (0.51) | ICAM1SELEVCAM1SMN1; SMN2MAPT | |
| SCHEMBL8956337 | 0.73 | ALDH1A1 (0.48) | SMN1; SMN2HTTKDM4EALDH1A1CYP2C9 | |
| SCHEMBL75568 | 0.70 | APEX1 (0.49) | SMN1; SMN2MAPTKDM4EALDH1A1CYP2C19 | |
| SCHEMBL15422590 | 0.70 | NR1H4 (0.42) | SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL15889401 | 0.70 | SMN1; SMN2 (0.42) | SMN1; SMN2MAPTHSP90AA1HTTKDM4E | |
| SCHEMBL29185985 | 0.69 | KDM4E (0.55) | SMN1; SMN2HTTKDM4EALDH1A1 | |
| SCHEMBL29021762 | 0.69 | RBP4 (0.47) | SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL28400912 | 0.69 | CYP1A2 (0.42) | MAPTKDM4EALDH1A1MAPK10CYP1A2 | |
| SCHEMBL8175262 | 0.68 | CYP1A2 (0.48) | ICAM1SELEVCAM1SMN1; SMN2MAPT | |
| SCHEMBL12012872 | 0.67 | ALDH1A1 (0.43) | SMN1; SMN2MAPTHTTKDM4EALDH1A1 |
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-2011019538-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK SHARP & DOHME CORP. (US) | 2011-02-17 | — | — | WO | disclosed |