Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 2/20 | 0.55 |
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12473 | 0.88 | BCHE (0.54) | GBA1ALDH1A1KDM4EMAPTBCHE | |
| SCHEMBL12444 | 0.84 | BACE1 (0.56) | ALDH1A1KDM4EMAPTBCHEHTT | |
| SCHEMBL27786435 | 0.81 | LTA4H (0.56) | GBA1MEN1KMT2ALMNAACHE | |
| SCHEMBL12449570 | 0.80 | BRD4 (0.46) | BRD4ALDH1A1KDM4ELMNALTA4H | |
| SCHEMBL18889804 | 0.80 | GBA1 (0.65) | GBA1ALDH1A1KDM4EMAPTBCHE | |
| SCHEMBL19380787 | 0.80 | GBA1 (0.74) | GBA1ALDH1A1KDM4EMAPTBCHE | |
| SCHEMBL12311 | 0.80 | S1PR1 (0.51) | GBA1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL5512520 | 0.77 | GBA1 (0.55) | GBA1ALDH1A1KDM4EMAPTBCHE | |
| SCHEMBL11002867 | 0.77 | ALDH1A1 (0.55) | GBA1ALDH1A1KDM4EMAPTHTT | |
| SCHEMBL16132013 | 0.76 | LTA4H (0.40) | BRD4LTA4H |
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-2499146-B1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO SA (CH) | 2016-09-21 | — | — | EP | disclosed |
| WO-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |