Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 3/20 | 0.32 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5530479 | 0.82 | GPR119 (0.36) | L3MBTL1KCNH2S1PR4S1PR1S1PR5 | |
| SCHEMBL3495572 | 0.81 | KDM1A (0.38) | L3MBTL1KCNH2S1PR4S1PR1S1PR5 | |
| SCHEMBL3496533 | 0.81 | KDM1A (0.38) | L3MBTL1KCNH2S1PR4S1PR1S1PR5 | |
| SCHEMBL3495579 | 0.81 | KDM1A (0.38) | L3MBTL1KCNH2S1PR4S1PR1S1PR5 | |
| SCHEMBL3495575 | 0.81 | KDM1A (0.38) | L3MBTL1KCNH2S1PR4S1PR1S1PR5 | |
| SCHEMBL3496531 | 0.81 | KDM1A (0.38) | L3MBTL1KCNH2S1PR4S1PR1S1PR5 | |
| SCHEMBL5527997 | 0.75 | PTGES (0.37) | NOD2NOD1MGLLL3MBTL1KCNH2 | |
| SCHEMBL11614790 | 0.68 | RAB9A (0.43) | NOD2NOD1MGLLL3MBTL1ALDH1A1 | |
| SCHEMBL5524975 | 0.66 | KMT2A (0.38) | S1PR4S1PR1S1PR5S1PR3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7273884 | 0.65 | MEN1 (0.44) | DPP4MEN1KMT2AKDM1AHRH2 |
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-1804793-A2 | 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006047195-A2 | 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2006-05-04 | — | — | WO | disclosed |