Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 5/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.34 |
| ▸ | MOGAT2 | Q3SYC2 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3741501 | 0.86 | SCN8A (0.37) | CYP2D6MAOBMOGAT2CYP3A4ALOX15 | |
| SCHEMBL3734636 | 0.82 | CYP2D6 (0.38) | KDRCHEK1CYP2D6KDM4EALDH1A1 | |
| SCHEMBL3742853 | 0.80 | KDR (0.43) | KDRCHEK1CYP2D6KDM4EALDH1A1 | |
| SCHEMBL3739265 | 0.78 | KDR (0.44) | KDRCHEK1CYP2D6KDM4EALDH1A1 | |
| SCHEMBL355568 | 0.73 | RAB9A (0.59) | KDRCHEK1KDM4EALDH1A1HPGD | |
| SCHEMBL7915702 | 0.73 | KDR (0.51) | KDRCHEK1KDM4EALDH1A1HPGD | |
| SCHEMBL5688592 | 0.72 | KDR (0.42) | KDRCHEK1KDM4EALDH1A1HPGD | |
| SCHEMBL8049852 | 0.71 | KDR (0.49) | KDRCHEK1KDM4EALDH1A1HPGD | |
| SCHEMBL9690611 | 0.69 | KDR (0.56) | KDRCHEK1KDM4EALDH1A1HPGD | |
| SCHEMBL354610 | 0.69 | KDR (0.56) | KDRCHEK1KDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-7829578-B1 | Aromatic ketones and uses thereof | OREGON HEALTH & SCIENCE UNIVERSITY (US) | 2010-11-09 | — | — | US | disclosed |