Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 4/20 | 0.51 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.51 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6738643 | 0.87 | ALDH1A1 (0.48) | FFAR1FFAR4GRM5ALDH1A1HPGD | |
| SCHEMBL5249356 | 0.85 | FFAR1 (0.66) | FFAR1FFAR4GRM5APPCYP1A2 | |
| SCHEMBL9303814 | 0.78 | ALDH1A1 (0.52) | FFAR1FFAR4GRM5ALDH1A1HPGD | |
| SCHEMBL22146785 | 0.78 | APP (0.44) | FFAR1FFAR4APPCYP1A2CYP3A4 | |
| SCHEMBL9094995 | 0.78 | NPSR1 (0.44) | APPCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Benzene SCHEMBL28733255 | 0.75 | APP (0.73) | FFAR1GRM5APPCYP1A2CYP3A4 | |
| SCHEMBL30495998 | 0.75 | APP (0.73) | FFAR1GRM5APPCYP1A2CYP3A4 | |
| SCHEMBL17312253 | 0.75 | APP (0.73) | FFAR1GRM5APPCYP1A2CYP3A4 | |
| SCHEMBL403663 | 0.75 | APP (0.73) | FFAR1GRM5APPCYP1A2CYP3A4 | |
| SCHEMBL10454358 | 0.74 | CYP1A2 (0.42) | FFAR1APPCYP1A2CYP3A4CYP2C9 |
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-111662147-B | Process for preparing diynes and analogues thereof | 清华大学 | 2021-08-10 | — | — | CN | disclosed |
| CN-111662147-A | Process for preparing diynes and analogues thereof | 清华大学 | 2020-09-15 | — | — | CN | disclosed |