Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 6/20 | 0.58 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.52 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.48 |
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.40 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3699394 | 0.86 | MAOB (0.63) | S1PR1FFAR1S1PR3MAOBKCNH2 | |
| SCHEMBL1602885 | 0.83 | S1PR1 (0.58) | S1PR1FFAR1S1PR3MAOBKCNH2 | |
| SCHEMBL6470762 | 0.82 | MAOB (0.62) | S1PR1FFAR1MAOBMMP12MMP13 | |
| SCHEMBL16152985 | 0.76 | S1PR1 (0.51) | S1PR1FFAR1S1PR3MAOBKCNH2 | |
| SCHEMBL1602753 | 0.76 | S1PR1 (0.57) | S1PR1FFAR1S1PR3MAOBKCNH2 | |
| SCHEMBL5401392 | 0.74 | FFAR1 (0.67) | S1PR1FFAR1MAOBESR1ESR2 | |
| SCHEMBL29214203 | 0.74 | FFAR1 (0.62) | S1PR1FFAR1MAOBESR1ESR2 | |
| SCHEMBL19553497 | 0.74 | FFAR1 (0.62) | S1PR1FFAR1MAOBESR1ESR2 | |
| SCHEMBL1603237 | 0.74 | S1PR1 (1.00) | S1PR1S1PR3KCNH2 | |
| SCHEMBL1601933 | 0.73 | S1PR1 (0.48) | S1PR1FFAR1S1PR3MAOBKCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2010522162-A | — | — | 2010-07-01 | — | — | JP | claimed |
| EP-2121648-A2 | S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX Pharmaceuticals, Inc. (US) | 2009-11-25 | — | — | EP | claimed |
| WO-2007109334-A2 | SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX DELAWARE, INC. (US) | 2007-09-27 | — | — | WO | claimed |