Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.37 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL31254063 | 0.88 | FFAR3 (0.44) | TSHRALDH1A1TP53FFAR3HMGCR | |
| SCHEMBL9804462 | 0.81 | ALDH1A1 (0.37) | TSHRALDH1A1TP53FFAR3TDP1 | |
| Trichloroethane SCHEMBL4834184 | 0.79 | — | — | |
| SCHEMBL1230818 | 0.79 | — | — | |
| SCHEMBL11244706 | 0.75 | — | — | |
| Propane SCHEMBL10913576 | 0.75 | — | — | |
| Propane SCHEMBL7059788 | 0.75 | FFAR3 (0.50) | TSHRALDH1A1TP53FFAR3CHRM1 | |
| Hydrochloric Acid SCHEMBL28569741 | 0.75 | — | — | |
| Chloromethane SCHEMBL28098486 | 0.75 | — | — | |
| SCHEMBL9186887 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0247485-B1 | PROCESS FOR THE PREPARATION OF OXETAN-3-CARBOXYLIC ACIDS | BAYER AG (DE) | 1991-04-17 | — | — | EP | disclosed |
| EP-0247481-B1 | PROCESS FOR THE PREPARATION OF 2,2-BIS-CHLOROMETHYL-ALKANE-CARBOXYLIC-ACID CHLORIDES | BAYER AG (DE) | 1989-11-08 | — | — | EP | disclosed |
| EP-0247485-A2 | Process for the preparation of oxetan-3-carboxylic acids | BAYER AG (DE) | 1987-12-02 | — | — | EP | disclosed |
| EP-0247481-A1 | Process for the preparation of 2,2-bis-chloromethyl-alkane-carboxylic-acid chlorides | BAYER AG (DE) | 1987-12-02 | — | — | EP | disclosed |