Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | GBA1 | P04062 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | LTA4H | P09960 | 6/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6403733 | 1.00 | ALDH1A1 (0.57) | ALDH1A1GBA1MEN1KMT2ALTA4H | |
| SCHEMBL23304299 | 0.89 | SIGMAR1 (0.54) | ALDH1A1GBA1MEN1KMT2ASIGMAR1 | |
| Pyridine SCHEMBL27293199 | 0.87 | ALDH1A1 (0.68) | ALDH1A1LTA4HSIGMAR1CYP1A2CYP3A4 | |
| SCHEMBL72716 | 0.82 | ALDH1A1 (0.81) | ALDH1A1LTA4HSIGMAR1CYP1A2CYP3A4 | |
| SCHEMBL741364 | 0.82 | ALDH1A1 (0.81) | ALDH1A1LTA4HSIGMAR1CYP1A2CYP3A4 | |
| SCHEMBL608225 | 0.82 | ALDH1A1 (0.81) | ALDH1A1LTA4HSIGMAR1CYP1A2CYP3A4 | |
| SCHEMBL28478494 | 0.82 | ALDH1A1 (0.49) | ALDH1A1LTA4HKDM4EPOLB | |
| SCHEMBL28478497 | 0.82 | ALDH1A1 (0.49) | ALDH1A1LTA4HKDM4EPOLB | |
| SCHEMBL6398126 | 0.81 | CHRNB2 (0.59) | ALDH1A1KMT2ASIGMAR1KDM4EMAPT | |
| Water SCHEMBL2362659 | 0.81 | ALDH1A1 (0.78) | ALDH1A1LTA4HSIGMAR1CYP1A2CYP3A4 |
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-2313096-A1 | NEW COMPOUNDS V | AstraZeneca AB (Publ) (SE) | 2011-04-27 | — | — | EP | claimed |