Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL5935166 | 0.89 | HCAR2 (0.67) | HCAR2ATMTSHRCYP3A4ALDH1A1 | |
| Maleic Acid SCHEMBL12981050 | 0.89 | HCAR2 (0.67) | HCAR2ATMTSHRCYP3A4ALDH1A1 | |
| Crotonic Acid SCHEMBL11390841 | 0.86 | HCAR2 (0.51) | HCAR2TSHRCES2HPGD | |
| Crotonic Acid SCHEMBL11390845 | 0.86 | HCAR2 (0.51) | HCAR2TSHRCES2HPGD | |
| Crotonic Acid SCHEMBL28077195 | 0.82 | HCAR2 (0.76) | HCAR2ATMTSHRALDH1A1HPGD | |
| Crotonic Acid SCHEMBL28209160 | 0.82 | HCAR2 (0.50) | HCAR2ATMTSHRALDH1A1HPGD | |
| Crotonic Acid SCHEMBL28022202 | 0.82 | HCAR2 (0.82) | HCAR2ATMTSHRALDH1A1HPGD | |
| Butoxyethanol SCHEMBL8736361 | 0.82 | TSHR (0.68) | HCAR2ATMTSHRCYP3A4ALDH1A1 | |
| Butyl Fumarate SCHEMBL27920352 | 0.81 | HCAR2 (0.86) | HCAR2ATMTSHRALDH1A1HPGD | |
| Maleic Acid SCHEMBL12980928 | 0.81 | HCAR2 (0.69) | HCAR2CES2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106045983-A | Preparing method of Afatinib | 苏州富士莱医药股份有限公司 | 2016-10-26 | — | — | CN | disclosed |