Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 7/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.61 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | MLYCD | O95822 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL255375 | 1.00 | HPGD (0.67) | HPGDTDP1OPRM1OPRD1ABCB11 | |
| SCHEMBL19785181 | 0.89 | HPGD (0.54) | HPGDTDP1OPRM1OPRD1ABCB11 | |
| SCHEMBL7406512 | 0.87 | HPGD (0.79) | HPGDTDP1OPRM1OPRD1TSHR | |
| SCHEMBL29175215 | 0.81 | MLYCD (0.55) | HPGDTDP1OPRM1OPRD1ABCB11 | |
| SCHEMBL18868856 | 0.81 | OPRM1 (0.46) | HPGDTDP1OPRM1OPRD1ABCB11 | |
| SCHEMBL20886433 | 0.81 | OPRM1 (0.46) | HPGDTDP1OPRM1OPRD1ABCB11 | |
| SCHEMBL29152721 | 0.80 | TSHR (0.55) | HPGDTDP1OPRM1OPRD1ABCB11 | |
| Diethyltoluamide SCHEMBL29976 | 0.80 | HPGD (1.00) | HPGDTDP1TSHRALDH1A1LMNA | |
| SCHEMBL2566192 | 0.80 | HPGD (0.69) | HPGDTDP1OPRM1OPRD1TSHR | |
| SCHEMBL1867393 | 0.80 | HPGD (0.69) | HPGDTDP1OPRM1OPRD1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117486753-A | Fluorine-containing benzoyl diethylamine compound with mosquito repellent effect, method and application thereof in mosquito repellent | 天津科技大学 | 2024-02-02 | — | — | CN | claimed |
| CN-117486753-A | Fluorine-containing benzoyl diethylamine compound with mosquito repellent effect, method and application thereof in mosquito repellent | 天津科技大学 | 2024-02-02 | — | — | CN | disclosed |