Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 3/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | HTT | P42858 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL1109733 | 0.80 | — | — | |
| Cyclohexene SCHEMBL3146768 | 0.71 | FFAR3 (0.56) | FFAR3ALDH1A1TDP1CYP2D6CYP2C19 | |
| Cyclopentene SCHEMBL4933266 | 0.71 | FFAR3 (0.56) | FFAR3ALDH1A1TDP1CYP2C19POLB | |
| Propionic Acid SCHEMBL27511214 | 0.71 | FFAR3 (0.56) | FFAR3ALDH1A1TDP1 | |
| Propionic Acid SCHEMBL4983371 | 0.71 | FFAR3 (0.56) | FFAR3ALDH1A1TDP1CYP2D6CYP2C19 | |
| Propionic Acid SCHEMBL4983364 | 0.71 | FFAR3 (0.56) | FFAR3ALDH1A1TDP1CYP2D6CYP2C19 | |
| Propionic Acid SCHEMBL28296776 | 0.70 | FFAR3 (0.62) | FFAR3ALDH1A1TDP1LMNATSHR | |
| SCHEMBL5278699 | 0.69 | ALDH1A1 (0.41) | KDM4EALDH1A1TDP1PKMCYP1A2 | |
| Propionic Acid SCHEMBL7378201 | 0.69 | FFAR3 (0.53) | FFAR3KDM4EALDH1A1LMNA | |
| SCHEMBL22373525 | 0.67 | ALDH1A1 (0.30) | ALDH1A1ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008132128-A2 | SYNTHESIS OF A PHARMACEUTICALLY ACTIVE COMPOUND | Solvay (Société Anonyme) (BE) | 2008-11-06 | — | — | WO | disclosed |
| EP-1985603-A1 | Process for preparing difluorocyclohexanoic acid derivatives | SOLVAY (Société Anonyme) (BE) | 2008-10-29 | — | — | EP | disclosed |