Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29591443 | 0.91 | — | — | |
| SCHEMBL168042 | 0.91 | — | — | |
| Nitrogen SCHEMBL9740678 | 0.89 | TSHR (0.47) | TSHRLMNATAAR1GAAALDH1A1 | |
| Hydrogen Sulfide SCHEMBL28293696 | 0.88 | — | — | |
| Fluoride SCHEMBL19837704 | 0.88 | TSHR (0.53) | TSHRLMNATAAR1GAAALDH1A1 | |
| Water SCHEMBL28152579 | 0.88 | — | — | |
| Phosphine SCHEMBL17580267 | 0.88 | — | — | |
| Bromide SCHEMBL15754374 | 0.88 | — | — | |
| Fluoride SCHEMBL8966802 | 0.88 | TSHR (0.53) | TSHRLMNATAAR1GAAALDH1A1 | |
| Hydrochloric Acid SCHEMBL7436809 | 0.86 | TSHR (0.50) | TSHRLMNATAAR1GAAALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105968103-A | Synthesis method of anti-tumor medicine afatinib | 山东罗欣药业集团恒欣药业有限公司 | 2016-09-28 | — | — | CN | claimed |
| CN-105543886-B | The electrochemical catalysis synthetic method of aromatic nitriles | 浙江工业大学 | 2017-08-01 | — | — | CN | disclosed |
| CN-105968103-A | Synthesis method of anti-tumor medicine afatinib | 山东罗欣药业集团恒欣药业有限公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-105543886-A | Electrochemical catalytic synthesis method of aromaticnitrile | UNIV ZHEJIANG TECHNOLOGY | 2016-05-04 | — | — | CN | disclosed |