Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | HPGD | P15428 | 6/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 6/20 | 0.35 |
| ▸ | RAB9A | P51151 | 6/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14285688 | 0.91 | S1PR1 (0.43) | S1PR1S1PR3HDAC4HDAC1HDAC6 | |
| SCHEMBL262292 | 0.90 | S1PR1 (0.39) | S1PR1S1PR3HDAC4HDAC1HDAC6 | |
| SCHEMBL261320 | 0.84 | S1PR1 (0.42) | S1PR1S1PR3HDAC4HDAC1HDAC6 | |
| SCHEMBL261387 | 0.82 | S1PR1 (0.56) | S1PR1S1PR3 | |
| SCHEMBL262274 | 0.82 | S1PR1 (0.56) | S1PR1S1PR3 | |
| SCHEMBL261019 | 0.81 | S1PR1 (0.43) | S1PR1S1PR3HDAC4HDAC1HDAC6 | |
| SCHEMBL262130 | 0.81 | MYC (0.43) | S1PR1S1PR3HDAC4HDAC1HDAC6 | |
| SCHEMBL14285784 | 0.79 | S1PR1 (0.62) | S1PR1S1PR3 | |
| SCHEMBL261423 | 0.78 | S1PR1 (0.76) | S1PR1S1PR3 | |
| SCHEMBL262039 | 0.78 | S1PR1 (0.76) | S1PR1S1PR3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008029306-A2 | THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-03-13 | — | — | WO | disclosed |