Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8948114 | 1.00 | TSHR (0.35) | TSHRSMN1; SMN2CHRM1AKR1A1CHRM3 | |
| SCHEMBL6065128 | 0.88 | TSHR (0.52) | TSHRSMN1; SMN2TDP1CYP3A4ACHE | |
| SCHEMBL6065132 | 0.88 | TSHR (0.52) | TSHRSMN1; SMN2TDP1CYP3A4ACHE | |
| SCHEMBL8580321 | 0.86 | KDM4E (0.32) | TSHRSMN1; SMN2TDP1 | |
| SCHEMBL8580318 | 0.86 | KDM4E (0.32) | TSHRSMN1; SMN2TDP1 | |
| SCHEMBL14291377 | 0.84 | ACHE (0.39) | TSHRSMN1; SMN2CHRM1AKR1A1CHRM3 | |
| SCHEMBL5070965 | 0.83 | ACHE (0.43) | TSHRSMN1; SMN2CHRM1AKR1A1CHRM3 | |
| SCHEMBL9764143 | 0.83 | ACHE (0.43) | TSHRSMN1; SMN2CHRM1AKR1A1CHRM3 | |
| SCHEMBL17183732 | 0.81 | CA1 (0.36) | TSHRSMN1; SMN2CHRM1AKR1A1CHRM3 | |
| SCHEMBL814572 | 0.76 | CHRM1 (0.36) | TSHRCHRM1AKR1A1CHRM3HTR2A |
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-5484949-A | Method for the synthesis of α β-unsaturated ketones | NIPPON SODA CO., LTD. (JP) | 1996-01-16 | — | — | US | disclosed |
| EP-0454867-A1 | A METHOD FOR THE SYNTHESIS OF -g(a), -g(b)-UNSATURATED KETONES. | NIPPON SODA CO (JP) | 1991-11-06 | — | — | EP | disclosed |
| WO-1991007370-A1 | A METHOD FOR THE SYNTHESIS OF α, β-UNSATURATED KETONES | NIPPON SODA CO., LTD. (JP) | 1991-05-30 | — | — | WO | disclosed |