Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | JUN | P05412 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.34 |
| ▸ | PFKFB3 | Q16875 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | TEK | Q02763 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25249689 | 0.82 | KDM4E (0.43) | P2RX7JUNNFKB1PADI4HDAC6 | |
| SCHEMBL6974319 | 0.82 | KDM4E (0.43) | P2RX7JUNNFKB1PADI4HDAC6 | |
| SCHEMBL8523153 | 0.81 | CCNC (0.49) | P2RX7JUNNFKB1PADI4HSP90AA1 | |
| SCHEMBL21055912 | 0.81 | CCNC (0.49) | P2RX7JUNNFKB1PADI4HSP90AA1 | |
| SCHEMBL24150077 | 0.77 | CCNC (0.42) | P2RX7JUNNFKB1PADI4PFKFB3 | |
| SCHEMBL16264150 | 0.75 | JUN (0.46) | P2RX7JUNNFKB1PADI4HSP90AA1 | |
| SCHEMBL15171261 | 0.74 | NPC1 (0.58) | PADI4HSP90AA1MAPTKDM4EMEN1 | |
| SCHEMBL3349779 | 0.74 | NPC1 (0.58) | PADI4HSP90AA1MAPTKDM4EMEN1 | |
| SCHEMBL24149768 | 0.74 | APP (0.38) | P2RX7JUNNFKB1PADI4EPHX2 | |
| SCHEMBL1136418 | 0.74 | JUN (0.69) | JUNNFKB1PFKFB3HDAC6MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-105585544-A | Trans-substituted alkene derivative, medicine composition containing same and medical application of trans-substituted alkene derivative | XIXI HOSPITAL OF HANGZHOU | 2016-05-18 | — | — | CN | disclosed |