Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HTRA1 | Q92743 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL5524982 | 1.00 | MEN1 (0.38) | MEN1MAPK1KMT2AHTRA1PSEN1 | |
| SCHEMBL3496764 | 0.90 | MEN1 (0.37) | MEN1MAPK1KMT2AHTRA1ITGB3 | |
| SCHEMBL3497054 | 0.90 | MEN1 (0.37) | MEN1MAPK1KMT2AHTRA1ITGB3 | |
| SCHEMBL3496769 | 0.90 | MEN1 (0.37) | MEN1MAPK1KMT2AHTRA1ITGB3 | |
| SCHEMBL3496766 | 0.90 | MEN1 (0.37) | MEN1MAPK1KMT2AHTRA1ITGB3 | |
| SCHEMBL3497061 | 0.90 | MEN1 (0.37) | MEN1MAPK1KMT2AHTRA1ITGB3 | |
| SCHEMBL3496771 | 0.90 | MEN1 (0.37) | MEN1MAPK1KMT2AHTRA1ITGB3 | |
| SCHEMBL3497056 | 0.90 | MEN1 (0.37) | MEN1MAPK1KMT2AHTRA1ITGB3 | |
| SCHEMBL3497055 | 0.90 | MEN1 (0.37) | MEN1MAPK1KMT2AHTRA1ITGB3 | |
| SCHEMBL3496907 | 0.86 | MEN1 (0.37) | MEN1MAPK1KMT2AHTRA1NR1H2 |
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 |