Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL18644115 | 0.80 | ACHE (0.45) | ACHECHRM2CHRM1CHRM3LMNA | |
| SCHEMBL27578835 | 0.72 | CTBP2 (0.55) | CYP1A2MEN1KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL8770863 | 0.70 | L3MBTL1 (0.66) | CHRM2CHRM1CHRM3CES2CES1 | |
| SCHEMBL45693 | 0.70 | ACHE (0.56) | ACHECHRM2CHRM1CHRM3CES2 | |
| SCHEMBL29059722 | 0.70 | HDAC1 (0.52) | CHRM2CHRM1CHRM3CYP1A2HDAC1 | |
| SCHEMBL16709842 | 0.69 | ADRB2 (0.36) | ACHEKMT2AALDH1A1 | |
| SCHEMBL9133529 | 0.69 | MTNR1A (0.55) | LMNAMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL23231470 | 0.68 | HDAC1 (0.56) | CHRM2CHRM1CHRM3CYP1A2HDAC1 | |
| SCHEMBL18814851 | 0.68 | NPC1 (0.42) | CYP1A2LMNACES2CES1MEN1 | |
| SCHEMBL9138032 | 0.67 | MTNR1A (0.45) | ACHE |
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-2222647-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | Cephalon, Inc. (US) | 2010-09-01 | — | — | EP | disclosed |
| WO-2008051547-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | CEPHALON, INC. (US) | 2008-05-02 | — | — | WO | disclosed |