Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.41 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.41 |
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19370874 | 0.77 | NOTUM (0.39) | KCNH2HRH3CARM1 | |
| SCHEMBL24112381 | 0.75 | NPC1 (0.50) | KCNH2HRH3OPRM1NPC1RAB9A | |
| SCHEMBL25391308 | 0.73 | PRCP (0.47) | KCNH2HRH3OPRM1PRCPSLC18A3 | |
| SCHEMBL24112355 | 0.73 | NPC1 (0.48) | KCNH2HRH3OPRM1NPC1RAB9A | |
| SCHEMBL24491308 | 0.72 | KDM1A (0.42) | ALDH1A1 | |
| SCHEMBL23551340 | 0.71 | JAK2 (0.43) | NPC1CARM1PRMT6PRCPDRD2 | |
| SCHEMBL27498941 | 0.70 | KCNH2 (0.60) | KCNH2HRH3OPRM1PRCPSLC18A3 | |
| SCHEMBL27703471 | 0.70 | KCNH2 (0.49) | KCNH2HRH3OPRM1PRCPSLC18A3 | |
| SCHEMBL26239074 | 0.70 | KCNH2 (0.44) | KCNH2HRH3OPRM1PRCPSLC18A3 | |
| SCHEMBL22698792 | 0.69 | ALDH1A1 (0.47) | SMN1; SMN2TP53ALDH1A1POLB |
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-2017161119-A1 | SMALL MOLECULES AGAINST CEREBLON TO ENHANCE EFFECTOR T CELL FUNCTION | H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) | 2017-09-21 | — | — | WO | disclosed |