Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | TET3 | O43151 | 4/20 | 0.51 |
| ▸ | FBXL19 | Q6PCT2 | 4/20 | 0.51 |
| ▸ | CXXC5 | Q7LFL8 | 4/20 | 0.51 |
| ▸ | KDM2B | Q8NHM5 | 4/20 | 0.51 |
| ▸ | CXXC4 | Q9H2H0 | 4/20 | 0.51 |
| ▸ | KDM2A | Q9Y2K7 | 4/20 | 0.51 |
| ▸ | TET1 | Q8NFU7 | 3/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.50 |
| ▸ | MLYCD | O95822 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL5171006 | 0.87 | HSD11B1 (0.48) | KMT2ATET3FBXL19CXXC5KDM2B | |
| SCHEMBL23779147 | 0.84 | KMT2A (0.69) | KMT2ATET3FBXL19CXXC5KDM2B | |
| SCHEMBL301150 | 0.84 | APP (0.61) | KMT2AHSD11B1MLYCDAPPCYP3A4 | |
| SCHEMBL3931269 | 0.83 | KMT2A (0.71) | KMT2ATET3FBXL19CXXC5KDM2B | |
| SCHEMBL31292357 | 0.83 | OPRM1 (0.63) | KMT2ATET3FBXL19CXXC5KDM2B | |
| SCHEMBL378380 | 0.82 | SLC6A7 (0.54) | KMT2ATET3FBXL19CXXC5KDM2B | |
| Hydrochloric Acid SCHEMBL2772455 | 0.82 | OPRM1 (0.66) | KMT2ATET3FBXL19CXXC5KDM2B | |
| SCHEMBL4728073 | 0.81 | HSD11B1 (0.44) | HSD11B1APPCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4725181 | 0.81 | OPRM1 (0.55) | CYP3A4OPRM1S1PR2 | |
| SCHEMBL378652 | 0.81 | AKR1C3 (0.59) | KMT2ATET3FBXL19CXXC5KDM2B |
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-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |