Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL235152 | 0.83 | ESR1 (0.36) | ALDH1A1TRPA1TYR | |
| SCHEMBL1270718 | 0.83 | ALDH1A1 (0.41) | ALDH1A1TRPA1TAS1R3TAS1R1TSHR | |
| SCHEMBL9774371 | 0.81 | ALDH1A1 (0.39) | ALDH1A1TRPA1TAS1R3TAS1R1TSHR | |
| SCHEMBL27147585 | 0.77 | CYP17A1 (0.34) | PTGS2 | |
| SCHEMBL20238791 | 0.77 | ALDH1A1 (0.38) | ALDH1A1TRPA1TAS1R3TAS1R1TSHR | |
| SCHEMBL5491075 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TRPA1TAS1R3TAS1R1TSHR | |
| SCHEMBL760246 | 0.75 | ESR1 (0.52) | TSHRTDP1 | |
| SCHEMBL3182705 | 0.74 | ALDH1A1 (0.44) | ALDH1A1TRPA1TSHRHDAC8TYR | |
| SCHEMBL9772103 | 0.74 | ALDH1A1 (0.44) | ALDH1A1TRPA1TSHRHDAC8TYR | |
| SCHEMBL928392 | 0.74 | ESR1 (0.30) | — |
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-7291747-B2 | Silicon compounds and process for preparation thereof | CHISSO CORPORATION (JP) | 2007-11-06 | — | — | US | disclosed |
| US-20040143081-A1 | Novel silicon compounds and process for preparation thereof | JNC CORPORATION (JP) | 2004-07-22 | — | — | US | disclosed |
| US-4020043-A | FLUORO-ALIPHATIC-SULFONYL-SUBSTITUTED ETHYLENE COMPOUND | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1977-04-26 | — | — | US | disclosed |