Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.34 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.34 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.34 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9751203 | 0.96 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2ORAI1 | |
| Toluene SCHEMBL10532790 | 0.82 | LMNA (0.44) | CYP3A4ORAI1ORAI2ORAI3TRPV6 | |
| Dioxane SCHEMBL27471817 | 0.79 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2KMT2A | |
| Oxirane SCHEMBL29388114 | 0.76 | CYP3A4 (0.71) | CYP3A4TDP1ESR1ESR2KMT2A | |
| Hydrogen Peroxide SCHEMBL8769153 | 0.76 | — | — | |
| Hydrogen Peroxide SCHEMBL8769156 | 0.76 | — | — | |
| SCHEMBL7424166 | 0.76 | TTR (0.31) | — | |
| SCHEMBL1845 | 0.76 | — | — | |
| Tetrahydrofuran SCHEMBL3544589 | 0.74 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2KMT2A | |
| Ammonia Solution, Strong SCHEMBL25278411 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000078740-A1 | SOLID-SUPPORTED INITIATORS AND FUNCTIONAL POLYMERS FOR USE IN ORGANIC SYNTHESIS AND COMBINATORIAL CHEMISTRY | WARNER-LAMBERT COMPANY (US) | 2000-12-28 | — | — | WO | disclosed |