Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25139435 | 0.84 | CYP1A2 (0.42) | CYP1A2BRD4NPSR1KDM4EALOX15 | |
| SCHEMBL1596880 | 0.82 | CYP1A2 (0.55) | CYP1A2NPSR1KDM4EALOX15TSHR | |
| SCHEMBL30401197 | 0.81 | NPSR1 (0.43) | CYP1A2BRD4NPSR1KDM4EALOX15 | |
| SCHEMBL4859332 | 0.81 | NPSR1 (0.43) | CYP1A2BRD4NPSR1KDM4EALOX15 | |
| SCHEMBL9360084 | 0.81 | KDM4E (0.41) | CYP1A2BRD4NPSR1KDM4EALOX15 | |
| SCHEMBL2348706 | 0.79 | KDM4E (0.61) | BRD4KDM4EALOX15TSHRTDP1 | |
| SCHEMBL2108801 | 0.78 | CYP1A2 (0.72) | CYP1A2NPSR1KDM4ETSHRSMN1; SMN2 | |
| SCHEMBL6564811 | 0.78 | ALDH1A1 (0.49) | CYP1A2KDM4EALOX15TSHRTDP1 | |
| SCHEMBL28849815 | 0.78 | PIM1 (0.43) | CYP1A2BRD4NPSR1KDM4EALOX15 | |
| SCHEMBL1181244 | 0.77 | MAPT (0.51) | CYP1A2BRD4SMN1; SMN2MRGPRX4NPC1 |
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-2019182938-A1 | AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2019-09-26 | — | — | WO | disclosed |