Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | AGXT | P21549 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4976688 | 0.84 | CYP19A1 (0.48) | CYP19A1HTR6GRIN2DGRIN3BGRIN1 | |
| Butane SCHEMBL9017614 | 0.82 | CYP19A1 (0.44) | CYP19A1HTR6GRIN2DGRIN3BGRIN1 | |
| SCHEMBL5162931 | 0.82 | FFAR4 (0.37) | CYP19A1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL5159592 | 0.79 | MAPT (0.39) | CYP19A1MAPTPTGS2ALDH1A1TDP1 | |
| SCHEMBL8583458 | 0.78 | IDO1 (0.53) | IDO1AGXTTAAR1 | |
| SCHEMBL5164455 | 0.76 | ELANE (0.38) | CYP19A1GAACALM1PTGS2ALDH1A1 | |
| SCHEMBL5318702 | 0.73 | MAPT (0.47) | CYP19A1HTR6KDM4EMAPTPTGS2 | |
| SCHEMBL1977481 | 0.73 | ALDH1A1 (0.46) | CYP19A1CALM1PTGS2ALDH1A1 | |
| SCHEMBL5159536 | 0.73 | KMT2A (0.41) | KDM4EGAAMAPTCYP3A4ALDH1A1 | |
| SCHEMBL5832074 | 0.71 | CYP19A1 (0.50) | CYP19A1HTR6GRIN2DGRIN3BGRIN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6022964-A | SPIROADAMANTYL DIOXETANES WITH AN ALKOXY SUBSTITUENT AND A NAPHTHYL SUBSTITUENT ON THE DIOXETANE RING WHICH CAN BE ACTIVATED BY ENZYMATIC CLEAVAGE OF LABILE GROUP; KINETICS AND SIGNAL INTENSITY DEPENDS ON ELECTRON-ACTIVATING GROUP | TROPIX, INC. (US) | 2000-02-08 | — | — | US | disclosed |
| US-5851771-A | Chemiluminescent 1,2-dioxetanes | TROPIX, INC. (US) | 1998-12-22 | — | — | US | disclosed |
| US-5840919-A | SPIROADAMANTYL 1,2-DIOXETANES CHARACTERIZED BY SUBSTITUENT ON AROMATIC RING IN ADDITION TO META-SUBSTITUTED ENZYME-LABILE GROUP | TROPIX, INC. (US) | 1998-11-24 | — | — | US | disclosed |