Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL8579692 | 0.83 | VDR (0.44) | CYP19A1GAAKDM4ECNR1CNR2 | |
| Hydrochloric Acid SCHEMBL8508446 | 0.80 | TAAR1 (0.42) | CYP19A1GAAKDM4ECNR1CNR2 | |
| SCHEMBL16607252 | 0.79 | GAA (0.42) | CYP19A1GAAKDM4EACHECRHBP | |
| SCHEMBL6905585 | 0.79 | CYP19A1 (0.44) | CYP19A1KDM4ECNR1CNR2VDR | |
| SCHEMBL12677632 | 0.78 | ESR1 (0.50) | CYP19A1GAAKDM4EACHEVDR | |
| SCHEMBL195044 | 0.78 | KDM4E (0.53) | CYP19A1GAAKDM4EACHESMN1; SMN2 | |
| SCHEMBL4963369 | 0.77 | CYP19A1 (0.40) | CYP19A1GAAKDM4ECNR1CNR2 | |
| SCHEMBL28873195 | 0.77 | CASP1 (0.48) | CYP19A1GAAKDM4ECNR1CNR2 | |
| SCHEMBL169247 | 0.76 | GAA (0.55) | CYP19A1GAAKDM4EACHEMAPT | |
| SCHEMBL6535890 | 0.76 | SLC13A5 (0.44) | CYP19A1GAAKDM4EVDRFFAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2401276-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS | Eisai R&D Management Co., Ltd. (JP) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010098487-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-09-02 | — | — | WO | disclosed |