Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5226789 | 0.85 | ALDH1A1 (0.39) | CYP2D6KDM4ELMNAMEN1KMT2A | |
| SCHEMBL5231186 | 0.82 | SMN1; SMN2 (0.38) | CYP1A2CYP2D6KDM4ELMNAMEN1 | |
| SCHEMBL5224886 | 0.82 | PTGS1 (0.37) | CYP2D6KDM4ELMNAMEN1KMT2A | |
| SCHEMBL5228534 | 0.81 | PTGS1 (0.36) | CYP2D6KDM4ELMNAMEN1KMT2A | |
| SCHEMBL5224632 | 0.81 | ALDH1A1 (0.39) | CYP2D6KDM4ELMNAMEN1KMT2A | |
| SCHEMBL5230237 | 0.80 | MAPT (0.47) | KDM4EMEN1KMT2ARAB9ASMN1; SMN2 | |
| SCHEMBL5227606 | 0.80 | TP53 (0.42) | CYP2D6LMNASMN1; SMN2ALDH1A1PTGS1 | |
| SCHEMBL5228370 | 0.79 | ALDH1A1 (0.36) | CYP2D6KDM4ELMNARAB9ASMN1; SMN2 | |
| SCHEMBL5226111 | 0.78 | CHRM2 (0.36) | CYP1A2CYP2D6KDM4ELMNAKMT2A | |
| SCHEMBL5223225 | 0.77 | PTGS1 (0.36) | CYP2D6KDM4ELMNASMN1; SMN2ALDH1A1 |
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-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |