Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 11/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1439088 | 0.90 | ITGA4 (0.47) | ITGA4SMN1; SMN2NPSR1MEN1ALDH1A1 | |
| SCHEMBL1438341 | 0.86 | ALDH1A1 (0.43) | ITGA4SMN1; SMN2NPSR1MEN1ALDH1A1 | |
| SCHEMBL1438245 | 0.85 | S1PR5 (0.49) | ITGA4SMN1; SMN2NPSR1MEN1ALDH1A1 | |
| SCHEMBL3372267 | 0.84 | NAAA (0.47) | SMN1; SMN2ALDH1A1S1PR5CNR2 | |
| SCHEMBL3371664 | 0.84 | NAAA (0.47) | SMN1; SMN2ALDH1A1S1PR5CNR2 | |
| SCHEMBL1438085 | 0.83 | SMN1; SMN2 (0.42) | ITGA4SMN1; SMN2NPSR1MEN1ALDH1A1 | |
| SCHEMBL1438315 | 0.83 | S1PR5 (0.51) | MEN1KMT2AS1PR5S1PR1CNR2 | |
| Hydrochloric Acid SCHEMBL1438074 | 0.83 | S1PR5 (0.51) | MEN1KMT2AS1PR5S1PR1CNR2 | |
| Bicarbonate SCHEMBL15484409 | 0.83 | MEN1 (0.42) | ITGA4SMN1; SMN2NPSR1MEN1ALDH1A1 | |
| SCHEMBL1439180 | 0.83 | HPGD (0.43) | ITGA4SMN1; SMN2NPSR1MEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102548976-B | (thio) morpholine derivatives as S1P modulators | ABBVIE BAHAMAS LTD. (BS) | 2015-09-09 | — | — | CN | disclosed |