Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL7101844 | 0.97 | CHRM1 (0.33) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL7100300 | 0.97 | CHRM1 (0.33) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Ammonia Solution, Strong SCHEMBL7101848 | 0.97 | CHRM1 (0.33) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL756679 | 0.91 | CA2 (0.33) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Trolamine SCHEMBL7094955 | 0.88 | — | — | |
| SCHEMBL7100296 | 0.77 | CYP3A4 (0.38) | — | |
| SCHEMBL7100637 | 0.76 | GPR84 (0.36) | — | |
| SCHEMBL2045547 | 0.76 | GPR84 (0.35) | — | |
| SCHEMBL1244942 | 0.75 | GPR84 (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL7098909 | 0.74 | GPR84 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |