Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.33 |
| ▸ | TSPO | P30536 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29687943 | 0.98 | CYP1A2 (0.38) | CYP1A2CYP2A6FFAR4TSHRLMNA | |
| SCHEMBL21787742 | 0.88 | PSMB5 (0.40) | CYP1A2CYP2A6LMNAMEN1KMT2A | |
| SCHEMBL3477723 | 0.77 | CYP1A2 (0.41) | CYP1A2CYP2A6FFAR4TSHRLMNA | |
| SCHEMBL22550359 | 0.77 | CYP1A2 (0.41) | CYP1A2CYP2A6FFAR4TSHRLMNA | |
| SCHEMBL1115692 | 0.76 | L3MBTL1 (0.43) | CYP1A2CYP2A6FFAR4TSHRLMNA | |
| SCHEMBL18719354 | 0.76 | CYP1A2 (0.40) | CYP1A2CYP2A6FFAR4TSHRLMNA | |
| SCHEMBL15422262 | 0.75 | CYP2C19 (0.48) | CYP1A2TSHRLMNAALOX12ACHE | |
| SCHEMBL28895569 | 0.74 | SIGMAR1 (0.46) | CYP1A2TSHRLMNAALOX12ACHE | |
| SCHEMBL28022238 | 0.74 | TSHR (0.41) | CYP1A2CYP2A6TSHRLMNAALOX12 | |
| SCHEMBL21991227 | 0.74 | TSHR (0.36) | CYP1A2TSHRMEN1KMT2ASLC6A2 |
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-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |