Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | AGXT | P21549 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL14665839 | 0.98 | TSHR (0.37) | TSHRIDO1ALDH1A1TP53AGXT | |
| SCHEMBL15893214 | 0.98 | TSHR (0.37) | TSHRIDO1ALDH1A1TP53AGXT | |
| SCHEMBL14665752 | 0.98 | TSHR (0.37) | TSHRIDO1ALDH1A1TP53AGXT | |
| SCHEMBL13550868 | 0.94 | TSHR (0.39) | TSHRIDO1ALDH1A1TP53TAAR1 | |
| SCHEMBL14665751 | 0.90 | TSHR (0.39) | TSHRIDO1ALDH1A1TP53AGXT | |
| SCHEMBL5388447 | 0.85 | TSHR (0.42) | TSHRIDO1ALDH1A1TP53TAAR1 | |
| SCHEMBL16543227 | 0.84 | TSHR (0.35) | TSHRALDH1A1TP53TAAR1AOC3 | |
| SCHEMBL26452646 | 0.82 | IDO1 (0.34) | TSHRIDO1ALDH1A1TP53AGXT | |
| SCHEMBL26452626 | 0.82 | IDO1 (0.34) | TSHRIDO1ALDH1A1TP53AGXT | |
| SCHEMBL17791455 | 0.81 | AGXT (0.39) | IDO1ALDH1A1AGXTTAAR1CYP1A2 |
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-6509023-B1 | Mixture of trisiloxanes containing phenylalkyl or phenyl-alkenyl groups; emollient, vehicle and/or transfer resistance agent; skin, hair | Chimie, Rhodia (FR) | 2003-01-21 | — | — | US | disclosed |