Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL28439038 | 0.86 | TP53 (0.42) | TP53CYP1A1CYP1A2CYP1B1MEN1 | |
| SCHEMBL28859310 | 0.81 | CYP1A2 (0.41) | TP53CYP1A1CYP1A2CYP1B1SLC6A2 | |
| SCHEMBL28214895 | 0.79 | CYP1A2 (0.40) | TP53CYP1A1CYP1A2CYP1B1SLC6A2 | |
| SCHEMBL1127579 | 0.79 | CYP1A2 (0.52) | TP53CYP1A1CYP1A2CYP1B1SLC6A2 | |
| SCHEMBL3088081 | 0.76 | CYP1A2 (0.50) | TP53CYP1A1CYP1A2CYP1B1SLC6A2 | |
| SCHEMBL28309638 | 0.76 | TP53 (0.46) | TP53CYP1A1CYP1A2CYP1B1SLC6A2 | |
| SCHEMBL28309640 | 0.74 | TP53 (0.44) | TP53CYP1A1CYP1A2CYP1B1SLC6A2 | |
| Cyanide SCHEMBL21808145 | 0.72 | CYP1A1 (0.52) | TP53CYP1A1CYP1A2CYP1B1SLC6A2 | |
| SCHEMBL4406066 | 0.72 | CYP1A2 (0.46) | TP53CYP1A1CYP1A2CYP1B1SLC6A2 | |
| SCHEMBL4954855 | 0.71 | CYP1A1 (0.52) | CYP1A1CYP1A2CYP1B1CALM1ALDH1A1 |
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 3 patents. 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 |
| CN-111517902-B | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 清华大学 | 2022-06-14 | — | — | CN | disclosed |
| CN-111517902-A | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 清华大学 | 2020-08-11 | — | — | CN | disclosed |