Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.58 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.35 |
| ▸ | BCL2 | P10415 | 2/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | PRKX | P51817 | 1/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 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 | |
|---|---|---|---|---|
| SCHEMBL2961626 | 0.96 | S1PR1 (0.59) | S1PR1S1PR3PDK1PDK2PDK3 | |
| SCHEMBL13240189 | 0.95 | S1PR1 (0.55) | S1PR1S1PR3PDK1PDK2PDK3 | |
| SCHEMBL1564038 | 0.93 | S1PR1 (0.61) | S1PR1S1PR3PDK1PDK2PDK3 | |
| SCHEMBL2963098 | 0.91 | S1PR1 (0.55) | S1PR1S1PR3PDK1PDK2PDK3 | |
| SCHEMBL1563356 | 0.90 | S1PR1 (0.59) | S1PR1S1PR3PDK1PDK2PDK3 | |
| SCHEMBL1563504 | 0.90 | S1PR1 (0.52) | S1PR1S1PR3PDK1PDK2PDK3 | |
| SCHEMBL1564193 | 0.90 | S1PR1 (0.54) | S1PR1S1PR3PDK1PDK2PDK3 | |
| SCHEMBL1562204 | 0.89 | S1PR1 (0.50) | S1PR1S1PR3CYP2C9PTGER1KDM4E | |
| SCHEMBL2963654 | 0.88 | S1PR1 (0.52) | S1PR1S1PR3PDK1PDK2PDK3 | |
| SCHEMBL14015270 | 0.88 | S1PR1 (0.57) | S1PR1S1PR3PDK1PDK2PDK3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7456157-B2 | Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2008-11-25 | — | — | US | disclosed |