Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.68 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | ATM | Q13315 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL593144 | 1.00 | ALDH1A1 (0.68) | ALDH1A1CYP2A13LMNASIGMAR1POLB | |
| Hydrochloric Acid SCHEMBL3033058 | 0.98 | ALDH1A1 (0.66) | ALDH1A1CYP2A13LMNASIGMAR1POLB | |
| Hydrochloric Acid SCHEMBL7426057 | 0.98 | ALDH1A1 (0.66) | ALDH1A1CYP2A13LMNASIGMAR1POLB | |
| SCHEMBL7098276 | 0.86 | LMNA (0.55) | ALDH1A1CYP2A13LMNASIGMAR1POLB | |
| SCHEMBL16226380 | 0.86 | ALDH1A1 (0.81) | ALDH1A1CYP2A13LMNAPOLBKDM4E | |
| SCHEMBL2925434 | 0.86 | LMNA (0.54) | ALDH1A1CYP2A13LMNASIGMAR1POLB | |
| SCHEMBL3262128 | 0.82 | ALDH1A1 (0.96) | ALDH1A1CYP2A13LMNAPOLBKDM4E | |
| SCHEMBL5752361 | 0.82 | SIGMAR1 (0.51) | ALDH1A1LMNASIGMAR1POLBKDM4E | |
| Hydrochloric Acid SCHEMBL23850789 | 0.81 | ALDH1A1 (0.85) | ALDH1A1CYP2A13LMNAPOLBKDM4E | |
| SCHEMBL807350 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP2A13LMNAPOLBKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0479665-A2 | 1,4-Dihydropyridine derivatives, method for preparing the same and use thereof | TEIKOKU CHEMICAL INDUSTRIES CO., LTD. (JP) | 1992-04-08 | — | — | EP | disclosed |