Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | PKLR | P30613 | 1/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1604902 | 0.79 | ALDH1A1 (0.38) | CES2CES1ALDH1A1PKMPKLR | |
| SCHEMBL17185881 | 0.74 | ALDH1A1 (0.33) | CES2CES1ALDH1A1PKMPKLR | |
| SCHEMBL19717529 | 0.74 | CES2 (0.39) | CES2CES1ALDH1A1HTT | |
| SCHEMBL7957999 | 0.71 | CES2 (0.39) | CES2CES1ALDH1A1LMNA | |
| SCHEMBL6258207 | 0.67 | MC4R (0.40) | CES2CES1ALDH1A1SMN1; SMN2 | |
| SCHEMBL4828643 | 0.66 | CES2 (0.39) | CES2CES1 | |
| SCHEMBL18242776 | 0.66 | CES2 (0.43) | CES2CES1ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL6204096 | 0.66 | CES2 (0.39) | CES2CES1ALDH1A1SMN1; SMN2 | |
| SCHEMBL3755699 | 0.66 | PKM (0.36) | CES2CES1ALDH1A1PKMPKLR | |
| Methanesulfonic Acid Methyl Ester SCHEMBL27591830 | 0.66 | USP2 (0.46) | CES2CES1ALDH1A1PKMPKLR |
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-1915373-A1 | HETEROBICYCLIC COMPOUNDS USEFUL AS P38 KINASE INHIBITING AGENTS | Merck and Co., Inc. (US) | 2008-04-30 | — | — | EP | disclosed |
| WO-2007021710-A1 | HETEROBICYCLIC COMPOUNDS USEFUL AS P38 KINASE INHIBITING AGENTS | MERCK & CO., INC. (US) | 2007-02-22 | — | — | WO | disclosed |