Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 6/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | CDC25B | P30305 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2879833 | 0.81 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2GAAPOLBLMNA | |
| SCHEMBL3523 | 0.81 | SMN1; SMN2 (0.37) | ALDH1A1KDM4EDPP4SMN1; SMN2GAA | |
| SCHEMBL2505 | 0.79 | SMN1; SMN2 (0.36) | ALDH1A1KDM4EDPP4SMN1; SMN2POLB | |
| SCHEMBL9598138 | 0.78 | CYP1A2 (0.46) | CYP1A2DPP4 | |
| SCHEMBL6381421 | 0.77 | ALDH1A1 (0.43) | CYP1A2ALDH1A1KDM4ETDP1DPP4 | |
| SCHEMBL6381415 | 0.77 | ALDH1A1 (0.43) | CYP1A2ALDH1A1KDM4ETDP1DPP4 | |
| SCHEMBL102472 | 0.77 | POLB (0.41) | ALDH1A1SMN1; SMN2GAAPOLBLMNA | |
| SCHEMBL234128 | 0.76 | CYP1A2 (0.45) | CYP1A2ALDH1A1KDM4ETDP1SMN1; SMN2 | |
| SCHEMBL8347629 | 0.76 | ALDH1A1 (0.34) | ALDH1A1KDM4ESMN1; SMN2GAAF10 | |
| SCHEMBL9598074 | 0.76 | ACACB (0.40) | ALDH1A1KDM4ESMN1; SMN2LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5180521-A | Liquid crystal displays, cyclohexyl nitriles | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1993-01-19 | — | — | US | disclosed |
| US-4846998-A | LIQUID CRYSTALS, ESTERS, NITRILES; ETHERS, HYDROCARBONS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-07-11 | — | — | US | disclosed |