Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNG | P07510 | 1/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CHRND | Q07001 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 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 | |
|---|---|---|---|---|
| SCHEMBL28064702 | 0.74 | CHRNA1 (0.43) | KDM1AALDH1A1LMNATSHRCHRNA1 | |
| SCHEMBL28064690 | 0.72 | KDM1A (0.42) | KDM1AALDH1A1LMNATSHRCHRNA1 | |
| SCHEMBL10155679 | 0.65 | KDM1A (0.56) | KDM1AALDH1A1LMNATSHR | |
| SCHEMBL8951547 | 0.64 | KDM1A (0.63) | KDM1AALDH1A1LMNATSHRNFE2L2 | |
| Dinitrophenylene SCHEMBL27684675 | 0.63 | TSHR (0.90) | ALDH1A1LMNATSHRNFE2L2HTT | |
| Dinitrophenylene SCHEMBL36632 | 0.63 | TSHR (1.00) | ALDH1A1LMNATSHRNFE2L2HTT | |
| Dinitrophenylene SCHEMBL29291896 | 0.63 | TSHR (1.00) | ALDH1A1LMNATSHRNFE2L2HTT | |
| SCHEMBL10184986 | 0.62 | TSHR (0.57) | KDM1AALDH1A1LMNATSHRCHRNA1 | |
| 3-Nitroaniline SCHEMBL29364768 | 0.62 | ALDH1A1 (1.00) | ALDH1A1LMNATSHRHTTKMT2A | |
| 3-Nitroaniline SCHEMBL1487 | 0.62 | ALDH1A1 (1.00) | ALDH1A1LMNATSHRHTTKMT2A |
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-105503827-A | EGFR (Epidermal growth factor receptor) inhibitor and preparation method and use thereof | SHANGHAI HANSOH BIOMEDICAL CO LTD | 2016-04-20 | — | — | CN | disclosed |