Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 14/20 | 0.66 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.47 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1372989 | 0.91 | S1PR1 (0.63) | S1PR1TAOK1TAOK3RECQLNPC1 | |
| SCHEMBL1375756 | 0.90 | S1PR1 (0.68) | S1PR1TAOK1TAOK3RECQLHDAC3 | |
| SCHEMBL12044808 | 0.88 | S1PR1 (0.73) | S1PR1TAOK1TAOK3RECQLHDAC3 | |
| SCHEMBL1373878 | 0.88 | S1PR1 (0.65) | S1PR1TAOK1TAOK3RECQLNPC1 | |
| SCHEMBL1372558 | 0.88 | S1PR1 (0.67) | S1PR1TAOK1TAOK3RECQL | |
| SCHEMBL1373873 | 0.88 | S1PR1 (0.65) | S1PR1TAOK1TAOK3RECQLNPC1 | |
| SCHEMBL1373394 | 0.87 | S1PR1 (0.67) | S1PR1TAOK1TAOK3HDAC3HDAC4 | |
| SCHEMBL2365173 | 0.86 | S1PR1 (0.74) | S1PR1TAOK1TAOK3RECQLLTA4H | |
| SCHEMBL1374402 | 0.86 | S1PR1 (0.63) | S1PR1RECQL | |
| SCHEMBL13392751 | 0.86 | S1PR1 (0.73) | S1PR1TAOK1TAOK3RECQLLTA4H |
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-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |