Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XPO1 | O14980 | 3/20 | 0.54 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 5/20 | 0.52 |
| ▸ | ATF1 | P18846 | 4/20 | 0.52 |
| ▸ | LCK | P06239 | 6/20 | 0.52 |
| ▸ | KDR | P35968 | 3/20 | 0.52 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.52 |
| ▸ | KIT | P10721 | 1/20 | 0.52 |
| ▸ | JUN | P05412 | 2/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.51 |
| ▸ | RELA | Q04206 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | BTK | Q06187 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6933361 | 0.80 | KCNK3 (0.55) | NFKB1LCKKDRMAPK14KIT | |
| SCHEMBL6935345 | 0.76 | MEN1 (0.70) | NFKB1KDRKITNFKB2RELA | |
| SCHEMBL12552982 | 0.75 | ATF1 (0.57) | XPO1NFKB1ATF1HTTRAB9A | |
| SCHEMBL23367846 | 0.74 | LMNA (0.65) | HTTRAB9AKDM4EMEN1KMT2A | |
| SCHEMBL1864557 | 0.73 | NFKB1 (0.78) | XPO1EPAS1NFKB1ATF1JUN | |
| SCHEMBL22573633 | 0.73 | MEN1 (0.58) | HTTRAB9AKDM4EMEN1KMT2A | |
| SCHEMBL15059636 | 0.72 | SMN1; SMN2 (0.54) | NFKB1NFKB2RELAHTTRAB9A | |
| SCHEMBL12764065 | 0.72 | KCNK3 (0.83) | HTTRAB9AMEN1KMT2AKCNK3 | |
| SCHEMBL31620748 | 0.71 | LCK (0.79) | EPAS1LCKKDRMAPK14KIT | |
| SCHEMBL22573826 | 0.71 | KCNK3 (0.53) | KDRHTTRAB9AMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011114275-A1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES | UNIVERSITY OF BASEL (CH) | 2011-09-22 | — | — | WO | disclosed |