Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2296619 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TSHRGPR88CYP1A2CYP2D6 | |
| SCHEMBL11650568 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TSHRGPR88CYP1A2CYP2D6 | |
| SCHEMBL7651108 | 0.83 | KMT2A (0.52) | CYP2D6PTGS2PTGS1KMT2ALMNA | |
| SCHEMBL4635157 | 0.81 | KMT2A (0.44) | ALDH1A1TSHRGPR88CYP1A2CYP2D6 | |
| SCHEMBL3804982 | 0.81 | ALDH1A1 (0.49) | ALDH1A1TSHRPTGS2PTGS1KMT2A | |
| SCHEMBL26698292 | 0.80 | TSHR (0.45) | ALDH1A1TSHRGPR88CYP1A2CYP2D6 | |
| SCHEMBL15201697 | 0.80 | KMT2A (0.53) | GPR88CYP2D6PTGS2PTGS1KMT2A | |
| SCHEMBL10853683 | 0.79 | ALDH1A1 (0.51) | ALDH1A1TSHRGPR88CYP1A2CYP2D6 | |
| SCHEMBL27643864 | 0.79 | GPR88 (0.49) | ALDH1A1TSHRGPR88SMN1; SMN2NPSR1 | |
| SCHEMBL13168121 | 0.77 | PTGS1 (0.47) | ALDH1A1TSHRGPR88CYP1A2CYP2D6 |
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-108250087-A | A kind of synthetic method of 4- isobutoxies benzylamine | 常州大学 | 2018-07-06 | — | — | CN | disclosed |