Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 11/20 | 0.72 |
| ▸ | PGR | P06401 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.49 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3126793 | 0.95 | S1PR1 (0.68) | S1PR1PGRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13393047 | 0.95 | S1PR1 (0.68) | S1PR1PGRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1372535 | 0.93 | S1PR1 (0.66) | S1PR1PGRSMN1; SMN2HDAC1 | |
| SCHEMBL1374223 | 0.93 | S1PR1 (0.66) | S1PR1PGRNPC1RAB9ATAOK1 | |
| SCHEMBL1372313 | 0.93 | S1PR1 (0.66) | S1PR1PGRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1375973 | 0.92 | S1PR1 (0.64) | S1PR1PGRNPC1RAB9ATAOK1 | |
| SCHEMBL12044728 | 0.91 | S1PR1 (0.63) | S1PR1PGRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1374302 | 0.91 | S1PR1 (0.63) | S1PR1NPC1RAB9ASMN1; SMN2TAOK1 | |
| SCHEMBL1372290 | 0.91 | S1PR1 (0.63) | S1PR1PGRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1373370 | 0.90 | S1PR1 (0.62) | S1PR1PGRRAB9ATAOK1TAOK3 |
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-2349252-A2 | SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | Exelixis, Inc. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010045601-A2 | SYNERGISTIC EFFECTS BETWEEN SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |