Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9315437 | 0.95 | — | — | |
| SCHEMBL166454 | 0.95 | — | — | |
| Toluene SCHEMBL6905809 | 0.85 | TSHR (0.42) | ALDH1A1CYP1A2HTR2AHRH1CES2 | |
| SCHEMBL31174525 | 0.83 | ALDH1A1 (0.37) | FFAR3TP53SLC7A5ALDH1A1HTR2A | |
| SCHEMBL2546877 | 0.80 | ALDH1A1 (0.41) | FFAR3ALDH1A1TDP1TSHR | |
| SCHEMBL10412722 | 0.77 | ACE2 (0.47) | MAPT | |
| Methylmalonic Acid SCHEMBL27861389 | 0.76 | TP53 (0.50) | TP53SLC7A5MAPTTSHR | |
| SCHEMBL16612661 | 0.75 | TDP1 (0.41) | FFAR3TP53SLC7A5ALDH1A1CYP1A2 | |
| SCHEMBL28279631 | 0.75 | TDP1 (0.37) | FFAR3ALDH1A1TDP1TSHR | |
| Methylmalonic Acid SCHEMBL995094 | 0.75 | FFAR3 (0.62) | FFAR3TP53SLC7A5ALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4321368-A | X-RAY CONTRAST MEDIA | MALLINCKRODT, INC. (US) | 1982-03-23 | — | — | US | disclosed |
| EP-0009362-A1 | Heterocyclic derivatives of guanidine, their preparation and pharmaceutical formulations comprising them | McNeilab, Inc. (US) | 1980-04-02 | — | — | EP | disclosed |