Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL570477 | 0.80 | ESR1 (0.51) | GABRA1GABRB2ESR1KCNH2TAAR1 | |
| SCHEMBL14115801 | 0.77 | PDCD1 (0.53) | PNMTGABRA1GABRB2LOXL2TAAR1 | |
| SCHEMBL12065441 | 0.72 | PNMT (0.41) | PNMTGABRA1GABRB2LOXL2TAAR1 | |
| SCHEMBL5398644 | 0.72 | TRPA1 (0.50) | PNMTGABRA1GABRB2TAAR1TSHR | |
| SCHEMBL15997 | 0.72 | TAAR1 (0.48) | PNMTESR1LOXL2TAAR1CYP2A6 | |
| SCHEMBL23771351 | 0.71 | GABRA1 (0.43) | PNMTGABRA1GABRB2TAAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL8702699 | 0.71 | TRPA1 (0.48) | PNMTGABRA1GABRB2TAAR1 | |
| SCHEMBL23241554 | 0.71 | AKR1B1 (0.48) | ADORA1 | |
| SCHEMBL28476371 | 0.70 | HSPA5 (0.39) | GABRA1GABRB2TAAR1SLC6A2MAOA | |
| Hydrochloric Acid SCHEMBL8387825 | 0.70 | TAAR1 (0.46) | PNMTESR1TAAR1CYP2A6DPP4 |
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-115980205-A | Quantitative and/or qualitative method for simultaneously measuring 54 hair dyes in hair dyeing product | 江苏省食品药品监督检验研究院 | 2023-04-18 | — | — | CN | claimed |