Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | MGLL | Q99685 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA3 | P07451 | 2/20 | 0.45 |
| ▸ | CA4 | P22748 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4442452 | 0.94 | KDM4E (0.54) | KDM4EHSD17B10MGLLTDP1FFAR1 | |
| SCHEMBL1601545 | 0.88 | KDM4E (0.57) | KDM4EHSD17B10MGLLTDP1FFAR1 | |
| SCHEMBL1602662 | 0.80 | MGLL (0.47) | KDM4EHSD17B10MGLLTDP1CA1 | |
| SCHEMBL1603585 | 0.80 | KDM4E (0.51) | KDM4EHSD17B10MGLLTDP1FFAR1 | |
| SCHEMBL1602396 | 0.79 | KDM4E (0.46) | KDM4EHSD17B10MGLLTDP1FFAR1 | |
| SCHEMBL1602638 | 0.78 | KDM4E (0.49) | KDM4EHSD17B10MGLLTDP1S1PR1 | |
| SCHEMBL14677067 | 0.77 | ALDH1A1 (0.52) | KDM4EHSD17B10MGLLTDP1FFAR1 | |
| SCHEMBL1600996 | 0.76 | KDM4E (0.50) | KDM4EHSD17B10MGLLTDP1FFAR1 | |
| SCHEMBL1601191 | 0.76 | KDM4E (0.62) | KDM4EHSD17B10MGLLTDP1CA1 | |
| SCHEMBL1601064 | 0.75 | KDM4E (0.57) | KDM4EHSD17B10MGLLTDP1CA1 |
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-2121648-A2 | S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX Pharmaceuticals, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2007109334-A2 | SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX DELAWARE, INC. (US) | 2007-09-27 | — | — | WO | disclosed |