Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 8/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 8/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 8/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.34 |
| ▸ | MASP2 | O00187 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL5530479 | 0.82 | GPR119 (0.36) | S1PR4S1PR1S1PR5S1PR3 | |
| SCHEMBL5524979 | 0.73 | MASP2 (0.36) | KMT2AMEN1MAPK1MASP2 | |
| SCHEMBL3496764 | 0.69 | MEN1 (0.37) | KMT2AMEN1MAPK1POLB | |
| SCHEMBL3496771 | 0.69 | MEN1 (0.37) | KMT2AMEN1MAPK1POLB | |
| SCHEMBL3496769 | 0.69 | MEN1 (0.37) | KMT2AMEN1MAPK1POLB | |
| SCHEMBL3496766 | 0.69 | MEN1 (0.37) | KMT2AMEN1MAPK1POLB | |
| SCHEMBL3497056 | 0.69 | MEN1 (0.37) | KMT2AMEN1MAPK1POLB | |
| SCHEMBL3497055 | 0.69 | MEN1 (0.37) | KMT2AMEN1MAPK1POLB | |
| SCHEMBL3497054 | 0.69 | MEN1 (0.37) | KMT2AMEN1MAPK1POLB | |
| SCHEMBL3497061 | 0.69 | MEN1 (0.37) | KMT2AMEN1MAPK1POLB |
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 |