Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | SCN1A | P35498 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11204275 | 1.00 | TDP1 (0.54) | TDP1ALDH1A1KDM4ESYKKEAP1 | |
| SCHEMBL81823 | 0.98 | TDP1 (0.56) | TDP1ALDH1A1KDM4ESYKKEAP1 | |
| SCHEMBL28383716 | 0.91 | TDP1 (0.51) | TDP1ALDH1A1KDM4ESYKKEAP1 | |
| SCHEMBL12137196 | 0.90 | TDP1 (0.50) | TDP1ALDH1A1KDM4ESYKKEAP1 | |
| SCHEMBL3142504 | 0.90 | TDP1 (0.50) | TDP1ALDH1A1KDM4ESYKKEAP1 | |
| SCHEMBL10306682 | 0.88 | TSHR (0.51) | TDP1ALDH1A1KDM4ESYKKEAP1 | |
| SCHEMBL16604255 | 0.88 | TDP1 (0.45) | TDP1ALDH1A1KDM4ESYKKEAP1 | |
| SCHEMBL501602 | 0.85 | TSHR (0.53) | TDP1ALDH1A1KDM4ESYKKEAP1 | |
| SCHEMBL4608545 | 0.85 | TDP1 (0.46) | TDP1ALDH1A1KDM4ESYKKEAP1 | |
| SCHEMBL92600 | 0.85 | TSHR (0.53) | TDP1ALDH1A1KDM4ESYKKEAP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5512068-A | USING A FUEL-SOLUBLE CROWN ETHER COMPLEXING AGENT TO REMOVE INORGANIC ALKALI METAL SALTS AND/OR THEIR CATIONS | ETHYL CORPORATION (US) | 1996-04-30 | — | — | US | claimed |
| US-5454843-A | Complexing with a gasoline soluble crown, crypt compound | ETHYL CORPORATION (US) | 1995-10-03 | — | — | US | claimed |
| US-5512068-A | USING A FUEL-SOLUBLE CROWN ETHER COMPLEXING AGENT TO REMOVE INORGANIC ALKALI METAL SALTS AND/OR THEIR CATIONS | ETHYL CORPORATION (US) | 1996-04-30 | — | — | US | disclosed |
| US-4687844-A | Process for the direct preparation of N,N-disubstituted derivatives for 4,13-diaza-18-crown-6 | UNIVERSITY OF MARYLAND (US) | 1987-08-18 | — | — | US | disclosed |
| US-4597903-A | Process for the direct preparation of N,N-disubstituted derivatives for 4,13-diaza-18-crown-6 | UNIVERSITY OF MARYLAND (US) | 1986-07-01 | — | — | US | disclosed |