Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | CHRNG | P07510 | 1/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CHRND | Q07001 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.37 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28064690 | 0.82 | KDM1A (0.42) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL28064648 | 0.74 | KDM1A (0.44) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL10184986 | 0.64 | TSHR (0.57) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| Dinitrophenylene SCHEMBL28052990 | 0.64 | TSHR (0.85) | ALDH1A1TSHRACHENFE2L2LMNA | |
| Dinitrophenylene SCHEMBL28274996 | 0.64 | TSHR (0.85) | ALDH1A1TSHRACHENFE2L2LMNA | |
| SCHEMBL10155679 | 0.64 | KDM1A (0.56) | KDM1AALDH1A1TSHRLMNA | |
| SCHEMBL9848305 | 0.63 | KDM1A (0.59) | KDM1AALDH1A1TSHRACHENFE2L2 | |
| SCHEMBL8951547 | 0.62 | KDM1A (0.63) | KDM1AALDH1A1TSHRACHENFE2L2 | |
| Dinitrophenylene SCHEMBL27684675 | 0.62 | TSHR (0.90) | ALDH1A1TSHRACHENFE2L2LMNA | |
| SCHEMBL18091505 | 0.61 | KDM1A (0.50) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 |
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 |