Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | IFNAR1 | P17181 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22288291 | 0.88 | HPRT1 (0.52) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL10842543 | 0.82 | AKR1B1 (0.38) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL28439024 | 0.82 | ALDH1A1 (0.38) | ALDH1A1HSD17B10CYP1A2HPGDPKM | |
| SCHEMBL21504652 | 0.78 | IFNAR1 (0.43) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL9018805 | 0.78 | CYP1A2 (0.43) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL31435109 | 0.77 | HSD17B1 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11215955 | 0.77 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL17288951 | 0.76 | CCR2 (0.31) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL28890095 | 0.75 | HSD17B10 (0.47) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL31167972 | 0.74 | IFNAR1 (0.60) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114835646-B | Imidazole trifluoro methylthio reagent and synthesis application thereof | 清华大学 | 2024-01-30 | — | — | CN | disclosed |
| CN-111801329-A | Heteroaryl pyrimidine compound and pest control agent | 日本曹达株式会社 | 2020-10-20 | — | — | CN | disclosed |
| WO-2020155595-A1 | AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR | 清华大学 | 2020-08-06 | — | — | WO | disclosed |
| CN-106659161-B | Amide compound and its harmful arthropod prevent and kill off purposes | 住友化学株式会社 | 2019-08-02 | — | — | CN | disclosed |