Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.51 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.44 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.44 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.44 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.44 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.44 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.44 |
| ▸ | DHODH | Q02127 | 2/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 7/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 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 | |
|---|---|---|---|---|
| SCHEMBL3996379 | 1.00 | BACE1 (0.51) | BACE1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL3991979 | 0.88 | S1PR3 (0.48) | PTGDR2S1PR3LMNA | |
| SCHEMBL2833946 | 0.81 | BACE1 (0.51) | BACE1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL3995229 | 0.80 | KIF11 (0.44) | BACE1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL2834553 | 0.78 | BACE1 (0.45) | BACE1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL2833627 | 0.78 | BACE1 (0.45) | BACE1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL2837655 | 0.75 | BACE1 (0.48) | BACE1DHODHKIF11APP | |
| SCHEMBL2832416 | 0.75 | BACE1 (0.48) | BACE1DHODHKIF11APP | |
| SCHEMBL2830992 | 0.75 | DHODH (0.54) | BACE1DHODHLMNAHTT | |
| SCHEMBL2831678 | 0.75 | DHODH (0.54) | BACE1DHODHLMNAHTT |
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-2064183-A2 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | Allergan, Inc. (US) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008030838-A2 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2008-03-13 | — | — | WO | disclosed |