Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | PLA2G2A | P14555 | 6/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 4/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL336432 | 0.84 | PLA2G2A (0.54) | S1PR3GAAMAPTPKMALDH1A1 | |
| SCHEMBL291421 | 0.83 | S1PR3 (0.65) | S1PR3GAAMAPTPKMALDH1A1 | |
| SCHEMBL336878 | 0.82 | S1PR3 (0.64) | S1PR3GAAMAPTPKMALDH1A1 | |
| SCHEMBL290260 | 0.82 | S1PR3 (0.53) | S1PR3GAAMAPTPKMALDH1A1 | |
| SCHEMBL2001937 | 0.81 | PLA2G2A (0.60) | S1PR3GAAMAPTPKMALDH1A1 | |
| SCHEMBL337035 | 0.81 | S1PR3 (0.63) | S1PR3GAAMAPTPKMALDH1A1 | |
| SCHEMBL337803 | 0.80 | S1PR3 (0.49) | S1PR3GAAMAPTPKMALDH1A1 | |
| SCHEMBL337924 | 0.80 | S1PR3 (0.62) | S1PR3GAAMAPTPKMALDH1A1 | |
| SCHEMBL337802 | 0.80 | S1PR3 (0.49) | S1PR3GAAMAPTPKMALDH1A1 | |
| SCHEMBL336671 | 0.80 | MAPT (0.73) | S1PR3GAAMAPTPKMALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8097644-B2 | Indole compounds having sphingosine-1-phosphate (S1P) receptor antagonist | ALLERGAN, INC. (US) | 2012-01-17 | — | — | US | disclosed |