Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Monoethanolamine SCHEMBL7094954 | 0.89 | CHRM1 (0.36) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Ammonia Solution, Strong SCHEMBL7098903 | 0.83 | GPR84 (0.40) | GRIK1GRIK2 | |
| SCHEMBL2045543 | 0.82 | GPR84 (0.39) | GRIK1SLC1A2SLC1A1GRIK2 | |
| Ammonia Solution, Strong SCHEMBL7100038 | 0.79 | TP53 (0.41) | GRIK1SLC1A2SLC1A1GRIK2 | |
| SCHEMBL3386235 | 0.75 | TP53 (0.31) | — | |
| Monoethanolamine SCHEMBL7099231 | 0.75 | GPR84 (0.36) | GRIK1SLC1A2SLC1A1GRIK2 | |
| Ammonia Solution, Strong SCHEMBL7099683 | 0.74 | RECQL (0.39) | TDP1CYP3A4TSHR | |
| SCHEMBL7100292 | 0.72 | CYP3A4 (0.46) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Potassium Ion SCHEMBL7955201 | 0.72 | CYP3A4 (0.42) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL796340 | 0.71 | RNPEP (0.35) | SLC1A3SLC1A2 |
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-0964036-B1 | Water-based ball-point pen ink composition | PILOT INK CO LTD (JP) | 2003-08-27 | — | — | EP | disclosed |
| US-6261352-B1 | BETAINE, SULFO ESTER | THE PILOT INK CO., LTD. (JP) | 2001-07-17 | — | — | US | disclosed |
| EP-0964036-A2 | Water-based ball-point pen ink composition | THE PILOT INK CO., LTD. (JP) | 1999-12-15 | — | — | EP | disclosed |