Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | CLPP | Q16740 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7689844 | 0.74 | POLB (0.47) | POLBCYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL14889127 | 0.70 | KMT2A (0.39) | POLBCYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL1701286 | 0.70 | TP53 (0.42) | HTR3AKDM4E | |
| SCHEMBL2398013 | 0.69 | SIGMAR1 (0.43) | POLBCYP2C19KMT2AMEN1 | |
| SCHEMBL1701631 | 0.68 | NOD1 (0.47) | POLBCYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5014545 | 0.67 | SIGMAR1 (0.42) | POLBCYP2C19L3MBTL1KDM4E | |
| SCHEMBL27935321 | 0.64 | KMT2A (0.49) | CYP1A2HTR3AKMT2APKM | |
| SCHEMBL9981010 | 0.64 | POLB (0.38) | POLBCYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL21759835 | 0.63 | TP53 (0.38) | POLBCYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| Bromide SCHEMBL27949878 | 0.63 | KMT2A (0.47) | CYP1A2HTR3AKMT2APKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-2585462-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2013-05-01 | — | — | EP | disclosed |