Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 3/20 | 0.71 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | CA6 | P23280 | 2/20 | 0.49 |
| ▸ | CA5A | P35218 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.47 |
| ▸ | MET | P08581 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17036972 | 0.95 | THRB (0.65) | THRBCA12CA1CA4CA6 | |
| SCHEMBL17036974 | 0.94 | THRB (0.62) | THRBCA12CA1CA4CA6 | |
| SCHEMBL10038474 | 0.93 | THRB (0.61) | THRBCA12CA1CA4CA6 | |
| SCHEMBL3440797 | 0.92 | THRB (0.69) | THRBCA12CA1CA4CA6 | |
| SCHEMBL9489063 | 0.91 | THRB (0.83) | THRBTSHRALDH1A1TP53HIF1A | |
| SCHEMBL331673 | 0.90 | THRB (0.71) | THRBCA12CA1CA4CA6 | |
| SCHEMBL9806249 | 0.89 | TSHR (0.59) | THRBCA12CA1CA4CA6 | |
| SCHEMBL28972692 | 0.89 | THRB (0.56) | THRBCA12CA1CA4CA6 | |
| SCHEMBL28241609 | 0.89 | THRB (0.56) | THRBCA12CA1CA4CA6 | |
| SCHEMBL21947597 | 0.89 | THRB (0.79) | THRBFFAR1HCAR2AKR1B10AKR1B1 |
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-2015126862-A1 | DENTAL COMPOSITION AND USE THEREOF | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2015-08-27 | — | — | WO | disclosed |