Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | HBB | P68871 | 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 | |
|---|---|---|---|---|
| Glycolic Acid SCHEMBL8987465 | 0.88 | ALDH1A1 (0.35) | FFAR3ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11217135 | 0.85 | — | — | |
| Propionic Acid SCHEMBL8953913 | 0.83 | FFAR3 (0.48) | FFAR3ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| Fumaric Acid SCHEMBL1535857 | 0.81 | TSHR (0.41) | ALDH1A1TP53 | |
| Maleic Acid SCHEMBL1535855 | 0.81 | TSHR (0.41) | ALDH1A1TP53 | |
| Propionic Acid SCHEMBL28191218 | 0.81 | FFAR3 (0.46) | FFAR3ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| Methyl Alcohol SCHEMBL4270495 | 0.81 | — | — | |
| Oxygen SCHEMBL28162417 | 0.81 | — | — | |
| SCHEMBL64078 | 0.81 | — | — | |
| SCHEMBL63327 | 0.81 | — | — |
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-4095943-A | REACTING HALIDE SALT WITH THE ACID IN THE PRESENCE OF AN EPOXIDE COMPOUND | CIBA-GEIGY CORPORATION (US) | 1978-06-20 | — | — | US | disclosed |