Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11200693 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CYP1A2LMNAACHEMAPT | |
| SCHEMBL6955804 | 0.75 | LMNA (0.60) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28410690 | 0.74 | SMN1; SMN2 (0.49) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL10688259 | 0.73 | ALDH1A1 (0.46) | ALDH1A1DRD2HTR2AHTR2CCYP1A2 | |
| SCHEMBL7675752 | 0.72 | MEN1 (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL6675949 | 0.71 | CYP1A2 (0.73) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3149347 | 0.69 | ALDH1A1 (0.63) | ALDH1A1PYCR1ACHETDP1THRB | |
| SCHEMBL7596877 | 0.69 | ALDH1A1 (0.63) | ALDH1A1PYCR1ACHETDP1THRB | |
| SCHEMBL9446990 | 0.68 | CYP2D6 (0.66) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10378821 | 0.68 | CYP1A2 (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-20210046062-A1 | 1,4-DIHYDROPYRIDINE COMPOSITIONS, METHODS OF MAKING AND USE | AMERICAN REGENT, INC. | 2021-02-18 | — | — | US | claimed |