Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 SCHEMBL28849069 | 0.98 | ALDH1A1 (0.39) | EPHX1ALDH1A1LMNATSHRCYP1A2 | |
| Methylcyclopentane SCHEMBL27727030 | 0.85 | FFAR3 (0.53) | EPHX1ALDH1A1LMNAFFAR3CES2 | |
| Propionic Acid SCHEMBL4088363 | 0.85 | FFAR3 (0.53) | EPHX1ALDH1A1LMNAFFAR3CES2 | |
| Propionic Acid SCHEMBL8614869 | 0.85 | FFAR3 (0.53) | EPHX1ALDH1A1LMNAFFAR3CES2 | |
| SCHEMBL318997 | 0.85 | EPHX1 (0.48) | EPHX1ALDH1A1LMNATSHRCES2 | |
| Butanone SCHEMBL28094659 | 0.83 | ALDH1A1 (0.50) | EPHX1ALDH1A1FFAR3CES2CES1 | |
| SCHEMBL8964234 | 0.82 | EPHX1 (0.46) | EPHX1ALDH1A1LMNATSHRCES2 | |
| SCHEMBL5728127 | 0.82 | EPHX1 (0.46) | EPHX1ALDH1A1LMNATSHRCES2 | |
| Cyclopentane SCHEMBL9743643 | 0.82 | FFAR3 (0.50) | ALDH1A1FFAR3TSHRCES2CES1 | |
| Propionamide SCHEMBL8603004 | 0.81 | EPHX1 (0.42) | EPHX1ALDH1A1FFAR3CES2CES1 |
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 |