Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | PTGES | O14684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13823691 | 0.90 | ESR1 (0.35) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL24899533 | 0.85 | CA12 (0.33) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL15443585 | 0.84 | POLB (0.45) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL14116424 | 0.83 | CA12 (0.39) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL15443110 | 0.80 | SMN1; SMN2 (0.43) | CA12CA1CA2CA9POLB | |
| SCHEMBL14116620 | 0.79 | CA12 (0.35) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL15443520 | 0.78 | MAPK1 (0.49) | CA12CA1CA2CA9POLB | |
| SCHEMBL12812236 | 0.77 | NPC1 (0.43) | CA12CA1CA2CA9POLB | |
| SCHEMBL17298641 | 0.77 | MAPT (0.39) | CA12CA1CA2CA9POLB | |
| SCHEMBL23951147 | 0.77 | NPC1 (0.46) | CA12CA1CA2CA9POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-9793483-B2 | Hexafluoroisopropanol group-containing diamine, polyimide and polyamide using same, cyclized product thereof, and method for producing same | CENTRAL GLASS COMPANY, LIMITED (JP) | 2017-10-17 | — | — | US | disclosed |