Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | AGXT | P21549 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL3680214 | 0.73 | TP53 (0.36) | ALDH1A1TP53ALOX15TAAR1 | |
| SCHEMBL28446741 | 0.72 | TSHR (0.43) | TSHRCALM1IDO1ALDH1A1LOXL2 | |
| SCHEMBL8992224 | 0.72 | CALM1 (0.43) | TSHRCALM1IDO1ALDH1A1LOXL2 | |
| SCHEMBL8992234 | 0.72 | CALM1 (0.43) | TSHRCALM1IDO1ALDH1A1LOXL2 | |
| SCHEMBL10824368 | 0.70 | CALM1 (0.36) | TSHRCALM1IDO1ALDH1A1LOXL2 | |
| SCHEMBL27765573 | 0.68 | SIGMAR1 (0.41) | TSHRCALM1IDO1ALDH1A1LOXL2 | |
| SCHEMBL9239449 | 0.68 | TP53 (0.42) | TSHRCALM1IDO1ALDH1A1LOXL2 | |
| SCHEMBL10964825 | 0.68 | TSHR (0.42) | TSHRCALM1IDO1ALDH1A1LOXL2 | |
| SCHEMBL41196 | 0.68 | CALM1 (0.50) | TSHRCALM1IDO1ALDH1A1LOXL2 | |
| Hydrochloric Acid SCHEMBL29160220 | 0.66 | CALM1 (0.47) | TSHRCALM1IDO1ALDH1A1LOXL2 |
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 |