Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SREBF2 | Q12772 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL441893 | 0.82 | ACHE (0.44) | KDM4ESMN1; SMN2ALDH1A1SREBF2CYP2D6 | |
| SCHEMBL6814198 | 0.77 | TLR8 (0.41) | KDM4ESMN1; SMN2ALDH1A1CYP2D6DRD1 | |
| SCHEMBL12891930 | 0.76 | MPO (0.46) | KDM4ESMN1; SMN2ALDH1A1MPOHSD17B10 | |
| SCHEMBL7420683 | 0.76 | KDM4E (0.65) | KDM4ESMN1; SMN2ALDH1A1SREBF2HSD17B10 | |
| SCHEMBL8139912 | 0.76 | NPSR1 (0.54) | KDM4ESMN1; SMN2ALDH1A1MPOHSD17B10 | |
| SCHEMBL12732312 | 0.76 | KDM4E (0.58) | KDM4ESMN1; SMN2ALDH1A1PLA2G2ANPC1 | |
| SCHEMBL12731773 | 0.75 | ALDH1A1 (0.45) | KDM4ESMN1; SMN2ALDH1A1MPONPC1 | |
| SCHEMBL31055810 | 0.75 | KDM4E (0.47) | KDM4ESMN1; SMN2ALDH1A1MPONPC1 | |
| SCHEMBL1166339 | 0.75 | NCF1 (0.51) | KDM4ESMN1; SMN2ALDH1A1CYP2D6DRD1 | |
| SCHEMBL743975 | 0.73 | KDM4E (0.72) | KDM4ESMN1; SMN2ALDH1A1PLA2G2ANPC1 |
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-2010033466-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C PROTEASE | PHENOMIX CORPORATION (US) | 2010-03-25 | — | — | WO | disclosed |