Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7581821 | 0.81 | ALDH1A1 (0.42) | ALDH1A1KDM4EMAPTTSHRTRPA1 | |
| SCHEMBL3369333 | 0.80 | MAPT (0.63) | ALDH1A1KDM4EMAPTTSHRTRPA1 | |
| SCHEMBL28439082 | 0.79 | KDM4E (0.61) | ALDH1A1KDM4EMAPTLMNAHPGD | |
| SCHEMBL13800974 | 0.78 | GABRA1 (0.50) | ALDH1A1KDM4EMAPTTSHRTRPA1 | |
| SCHEMBL23892778 | 0.78 | GABRA1 (0.50) | ALDH1A1KDM4EMAPTTSHRTRPA1 | |
| SCHEMBL11436243 | 0.77 | TRPA1 (0.67) | ALDH1A1KDM4EMAPTTRPA1HPGD | |
| SCHEMBL13485327 | 0.76 | MAPT (0.51) | ALDH1A1KDM4EMAPTTSHRLMNA | |
| SCHEMBL13891036 | 0.75 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTTSHRLMNA | |
| SCHEMBL7188617 | 0.75 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTTSHRLMNA | |
| SCHEMBL14950437 | 0.75 | ALDH1A1 (0.48) | ALDH1A1KDM4EMAPTTSHRLMNA |
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-2014117947-A1 | 4-AMINO SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS AS PDE4 INHIBITORS | Grünenthal GmbH (DE) | 2014-08-07 | — | — | WO | disclosed |