Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | EBP | Q15125 | 1/20 | 0.47 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | SHBG | P04278 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | TACR2 | P21452 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL9308974 | 0.88 | KCNH2 (0.60) | KCNH2SIGMAR1HTR2AHSD17B10TSHR | |
| Trimethylammonium SCHEMBL11226106 | 0.86 | KCNH2 (0.70) | KCNH2SIGMAR1HTR2AHSD17B10THRA | |
| Trimethylammonium SCHEMBL27603294 | 0.84 | KCNH2 (0.68) | KCNH2SIGMAR1HTR2AHSD17B10THRA | |
| Trimethylammonium SCHEMBL28575908 | 0.84 | KCNH2 (0.68) | KCNH2SIGMAR1HTR2AHSD17B10THRA | |
| Trimethylammonium SCHEMBL28342434 | 0.84 | KCNH2 (0.68) | KCNH2SIGMAR1HTR2AHSD17B10THRA | |
| Trimethylammonium SCHEMBL9309578 | 0.84 | KCNH2 (0.55) | KCNH2SIGMAR1HTR2AHSD17B10TSHR | |
| Acetonitrile SCHEMBL28809015 | 0.83 | KCNH2 (0.61) | KCNH2SIGMAR1HTR2AHSD17B10TSHR | |
| SCHEMBL28066910 | 0.83 | KCNH2 (0.61) | KCNH2SIGMAR1HTR2AHSD17B10TSHR | |
| Trimethylammonium SCHEMBL28195416 | 0.83 | KCNH2 (0.66) | KCNH2SIGMAR1HTR2AHSD17B10THRA | |
| Trimethylammonium SCHEMBL27827848 | 0.83 | KCNH2 (0.66) | KCNH2SIGMAR1HTR2AHSD17B10THRA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0464880-B1 | Bleaching composition | UNILEVER NV (NL) | 1994-12-14 | — | — | EP | disclosed |
| US-5281361-A | Peroxide bleach, cationic nitrile precursor to activate bleach | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1994-01-25 | — | — | US | disclosed |
| EP-0464880-A1 | Bleaching composition | UNILEVER N.V. (NL) | 1992-01-08 | — | — | EP | disclosed |