Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | VCP | P55072 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL28643001 | 0.88 | CYP1A2 (0.47) | CYP3A4FFAR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28289709 | 0.76 | TRPA1 (0.54) | ALDH1A1MAPTMEN1KMT2ACYP1A2 | |
| SCHEMBL28289707 | 0.76 | TRPA1 (0.54) | ALDH1A1MAPTMEN1KMT2ACYP1A2 | |
| SCHEMBL8903629 | 0.74 | MAOB (0.44) | ALDH1A1MAPTMEN1POLBKMT2A | |
| SCHEMBL6882718 | 0.72 | NFE2L2 (0.45) | ALDH1A1MAPTKMT2ACYP3A4CYP1A2 | |
| SCHEMBL6882721 | 0.72 | NFE2L2 (0.45) | ALDH1A1MAPTKMT2ACYP3A4CYP1A2 | |
| SCHEMBL29080283 | 0.71 | RAB9A (0.49) | MAPTKMT2ANFE2L2 | |
| SCHEMBL8736683 | 0.71 | IDO1 (0.48) | MEN1KMT2AHTR2ASIGMAR1 | |
| SCHEMBL2092895 | 0.71 | NFE2L2 (0.43) | ALDH1A1MAPTPOLBKMT2ACYP3A4 | |
| SCHEMBL2092894 | 0.71 | NFE2L2 (0.43) | ALDH1A1MAPTPOLBKMT2ACYP3A4 |
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-113548965-A | Preparation method of 1, 4-eneyne compound | 南京工业大学 | 2021-10-26 | — | — | CN | disclosed |