Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.60 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.60 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.60 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.55 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.54 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.54 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.54 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5939323 | 0.90 | S1PR1 (0.64) | S1PR1FFAR1SMN1; SMN2ALDH1A1FFAR4 | |
| SCHEMBL864629 | 0.90 | HDAC3 (0.65) | S1PR1S1PR3S1PR2SMN1; SMN2ALDH1A1 | |
| SCHEMBL8905341 | 0.84 | HDAC3 (0.73) | S1PR1S1PR3S1PR2SMN1; SMN2ALDH1A1 | |
| SCHEMBL27876606 | 0.83 | S1PR1 (0.53) | S1PR1FFAR1S1PR3S1PR2SMN1; SMN2 | |
| SCHEMBL15198805 | 0.83 | S1PR1 (0.82) | S1PR1FFAR1S1PR3S1PR2ALDH1A1 | |
| SCHEMBL28329735 | 0.83 | HDAC3 (0.73) | S1PR1S1PR3S1PR2ALDH1A1HDAC1 | |
| SCHEMBL7204842 | 0.83 | HDAC3 (0.73) | S1PR1S1PR3S1PR2ALDH1A1HDAC1 | |
| SCHEMBL11775902 | 0.83 | HDAC3 (0.73) | S1PR1S1PR3S1PR2ALDH1A1HDAC1 | |
| SCHEMBL10045136 | 0.82 | SMN1; SMN2 (0.68) | SMN1; SMN2ALDH1A1MAOALMNAGAA | |
| Hydrochloric Acid SCHEMBL3229769 | 0.81 | HDAC3 (0.71) | S1PR1S1PR3S1PR2ALDH1A1HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1575964-B1 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-11-11 | — | — | EP | disclosed |