Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Methylcyclopentane SCHEMBL27727030 | 1.00 | FFAR3 (0.53) | FFAR3CYP1A2EPHX1ALDH1A1CES2 | |
| Propionic Acid SCHEMBL4088363 | 1.00 | FFAR3 (0.53) | FFAR3CYP1A2EPHX1ALDH1A1CES2 | |
| Butanone SCHEMBL28094659 | 0.87 | ALDH1A1 (0.50) | FFAR3CYP1A2EPHX1ALDH1A1CES2 | |
| Glycolic Acid SCHEMBL9935780 | 0.87 | CYP1A2 (0.44) | FFAR3CYP1A2EPHX1ALDH1A1CES2 | |
| Butyric Acid SCHEMBL4630509 | 0.86 | FFAR3 (0.56) | FFAR3CYP1A2EPHX1ALDH1A1LMNA | |
| Bicarbonate SCHEMBL4695324 | 0.86 | EPHX1 (0.50) | CYP1A2EPHX1ALDH1A1CES2CES1 | |
| Bicarbonate SCHEMBL8913592 | 0.86 | EPHX1 (0.50) | CYP1A2EPHX1ALDH1A1CES2CES1 | |
| Bicarbonate SCHEMBL17847302 | 0.86 | EPHX1 (0.50) | CYP1A2EPHX1ALDH1A1CES2CES1 | |
| Chloroacetic Acid SCHEMBL1783141 | 0.85 | TSHR (0.48) | FFAR3CYP1A2EPHX1ALDH1A1CES2 | |
| SCHEMBL8618026 | 0.85 | EPHX1 (0.42) | FFAR3CYP1A2EPHX1ALDH1A1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0837845-A1 | HERPES RIBONUCLEOTIDE REDUCTASE INHIBITORS | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 1998-04-29 | — | — | EP | disclosed |
| WO-1997000855-A1 | HERPES RIBONUCLEOTIDE REDUCTASE INHIBITORS | BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE. (CA) | 1997-01-09 | — | — | WO | disclosed |