Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.63 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.58 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.52 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.50 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.48 |
| ▸ | TNKS | O95271 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL3699392 | 0.86 | S1PR1 (0.58) | MAOBS1PR1FFAR1S1PR3KCNH2 | |
| SCHEMBL1602885 | 0.83 | S1PR1 (0.58) | MAOBS1PR1FFAR1S1PR3MAOA | |
| SCHEMBL6470762 | 0.82 | MAOB (0.62) | MAOBS1PR1FFAR1P2RY14MAOA | |
| SCHEMBL11699010 | 0.80 | MAOB (0.78) | MAOBFFAR1TNKSPARP1TNKS2 | |
| SCHEMBL14421881 | 0.79 | ALDH1A1 (0.44) | MAOBS1PR1FFAR1S1PR3ALDH1A1 | |
| SCHEMBL3983367 | 0.78 | MAOB (1.00) | MAOBFFAR1MAOAKDM4EALDH1A1 | |
| SCHEMBL11850978 | 0.78 | MAOB (0.80) | MAOBTNKSPARP1TNKS2PARP2 | |
| SCHEMBL19166583 | 0.77 | FFAR1 (0.78) | MAOBS1PR1FFAR1P2RY14S1PR3 | |
| SCHEMBL3687533 | 0.76 | MAOB (0.68) | MAOBP2RY14TNKSPARP1TNKS2 | |
| SCHEMBL1602753 | 0.76 | S1PR1 (0.57) | MAOBS1PR1FFAR1S1PR3MAOA |
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 |