Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20558297 | 0.85 | KMT2A (0.46) | L3MBTL1NPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL3804900 | 0.82 | GPR119 (0.60) | POLBKDM4E | |
| SCHEMBL28737837 | 0.81 | SMN1; SMN2 (0.51) | ALDH1A1L3MBTL1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL5152829 | 0.80 | EPHX2 (0.63) | EPHX2RIPK1 | |
| SCHEMBL2474885 | 0.80 | KMT2A (0.42) | L3MBTL1NPC1RAB9APOLBSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL23928369 | 0.79 | EPHX2 (0.62) | EPHX2RIPK1 | |
| SCHEMBL30473865 | 0.78 | L3MBTL1 (0.40) | L3MBTL1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL28987117 | 0.77 | CYP2C19 (0.46) | ALDH1A1L3MBTL1CYP2C19NPC1POLB | |
| Hydrochloric Acid SCHEMBL27414475 | 0.77 | PKM (0.39) | L3MBTL1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL440330 | 0.75 | CYP3A4 (0.54) | EPHX2ALDH1A1L3MBTL1CYP2C19POLB |
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-2398796-A1 | HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | Merck Canada Inc. (CA) | 2011-12-28 | — | — | EP | disclosed |
| WO-2010094126-A1 | HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2010-08-26 | — | — | WO | disclosed |