Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | USP1 | O94782 | 6/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1701306 | 0.85 | GABRP (0.47) | HSD17B10TSHRGABRPGABRDGABRA1 | |
| SCHEMBL9981348 | 0.81 | GABRP (0.47) | LMNAHSD17B10KDM4EALDH1A1TSHR | |
| SCHEMBL9980938 | 0.81 | GABRP (0.47) | LMNAALDH1A1TSHRPDE4DGABRP | |
| SCHEMBL7693122 | 0.76 | GABRP (0.47) | LMNAALDH1A1PDE4DPDE3AAKT1 | |
| SCHEMBL21759835 | 0.76 | TP53 (0.38) | TP53THRBHSD17B10ALDH1A1 | |
| SCHEMBL7499251 | 0.75 | KDM4E (0.60) | USP1HTTLMNAKDM4EALDH1A1 | |
| SCHEMBL9980970 | 0.74 | CYP1A2 (0.42) | TP53THRBALDH1A1 | |
| SCHEMBL1701288 | 0.73 | PDE10A (0.41) | TP53THRBALDH1A1TSHR | |
| SCHEMBL9981101 | 0.72 | CYP1A2 (0.38) | TP53THRBHSD17B10ALDH1A1HRH1 | |
| SCHEMBL9981035 | 0.72 | CYP1A2 (0.40) | HSD17B10KDM4EALDH1A1 |
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-2011163355-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-29 | — | — | WO | disclosed |