Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAB2 | O43741 | 1/20 | 0.47 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.47 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.47 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.47 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.47 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.47 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ACACB | O00763 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KMO | O15229 | 2/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL362634 | 0.84 | KMT2A (0.46) | ALDH1A1KMT2ATDP1MEN1FFAR4 | |
| SCHEMBL27659789 | 0.82 | ALDH1A1 (0.45) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL8516137 | 0.81 | MAPT (0.42) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL2890712 | 0.79 | ALDH1A1 (0.42) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL14720900 | 0.79 | TDP1 (0.45) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL10324616 | 0.77 | TDP1 (0.38) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL31430800 | 0.77 | ALDH1A1 (0.56) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL1547204 | 0.75 | MAP4K4 (0.41) | ALDH1A1ACACB | |
| SCHEMBL360439 | 0.75 | TDP1 (0.39) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL14721176 | 0.75 | BACE1 (0.41) | ACACBKMT2AKMOTDP1MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103403004-B | Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels | VERTEX PHARMACEUTICALS INC. (US) | 2016-06-01 | — | — | CN | disclosed |
| EP-2445891-A1 | 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS | Glaxo Group Limited (GB) | 2012-05-02 | — | — | EP | disclosed |
| WO-2010148649-A1 | 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2010-12-29 | — | — | WO | disclosed |