Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 2/20 | 0.48 |
| ▸ | MMP3 | P08254 | 2/20 | 0.48 |
| ▸ | MMP13 | P45452 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5552160 | 0.86 | APP (0.65) | APPMAPTCA4MMP2MMP3 | |
| SCHEMBL9715656 | 0.84 | APP (0.63) | APPMAPTCA4MMP2MMP3 | |
| SCHEMBL21244052 | 0.83 | LTA4H (0.55) | APPALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL702843 | 0.83 | LTA4H (0.55) | APPALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL28151462 | 0.82 | APP (0.55) | APPALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL28469893 | 0.81 | CYP1A2 (0.64) | APPALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL29712684 | 0.79 | ALDH1A1 (0.54) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29712657 | 0.79 | ALDH1A1 (0.48) | APPALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL10102350 | 0.78 | APP (0.55) | APPKCNH2 | |
| SCHEMBL10834508 | 0.78 | LTA4H (0.58) | APPALDH1A1CA4KCNH2LTA4H |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114890859-A | Preparation method of 1, 4-pentadiyne compound | 盐城工学院 | 2022-08-12 | — | — | CN | disclosed |