Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 2/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL548634 | 0.97 | CYP2D6 (0.48) | CYP2D6SRCDPP4F2TSHR | |
| SCHEMBL1335929 | 0.82 | CYP2D6 (0.41) | CYP2D6SRCDPP4F2TSHR | |
| SCHEMBL2554928 | 0.82 | ACP3 (0.47) | ALDH1A1MAPK1TAAR1 | |
| SCHEMBL11470444 | 0.82 | CYP2D6 (0.41) | CYP2D6SRCDPP4F2TSHR | |
| Sulfurous Acid SCHEMBL27765952 | 0.80 | CYP2D6 (0.40) | CYP2D6SRCLMNAMAPK1KMT2A | |
| SCHEMBL7995898 | 0.79 | CYP2D6 (0.38) | CYP2D6SRCDPP4F2LMNA | |
| SCHEMBL7995901 | 0.79 | CYP2D6 (0.38) | CYP2D6SRCDPP4F2LMNA | |
| Benzene SCHEMBL27679033 | 0.79 | CYP2D6 (0.38) | CYP2D6SRCDPP4F2TSHR | |
| Pimagedine SCHEMBL27745105 | 0.77 | CTSD (0.44) | CYP2D6F2ALDH1A1LMNAKMT2A | |
| SCHEMBL1579572 | 0.77 | CYP1A2 (0.53) | CYP2D6ALDH1A1CYP2A6LMNAMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1476446-B1 | METHOD FOR PRODUCING N-ETHYL-N-( 3-(3-CYANOPYRAZOLO-(1,5A)-PYRIMIDINE-7-YL)PHENYL)-ACETAMIDE | CILAG AG (CH) | 2007-08-01 | — | — | EP | disclosed |
| EP-1476446-A1 | METHOD FOR PRODUCING N-ETHYL-N- 3-(3-CYANOPYRAZOLO 1,5A]PYRIMIDINE-7-YL)PHENYL ACETAMIDE | Cilag AG (CH) | 2004-11-17 | — | — | EP | disclosed |