Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5510992 | 0.91 | ALDH1A1 (0.55) | ALDH1A1MEN1KMT2AKDM4EMCOLN3 | |
| Tert-Butyl Formate SCHEMBL27699541 | 0.83 | BRD4 (0.52) | ALDH1A1KMT2AKDM4ETSHRGAA | |
| SCHEMBL3997893 | 0.78 | VCP (0.45) | ALDH1A1MEN1KMT2AKDM4EMAPT | |
| Tert-Butyl Formate SCHEMBL27699525 | 0.76 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2AKDM4EMCOLN3 | |
| Tert-Butyl Formate SCHEMBL27699606 | 0.75 | CA12 (0.46) | ALDH1A1MEN1KMT2AKDM4ECYP3A4 | |
| Tert-Butyl Formate SCHEMBL27720068 | 0.74 | BRD4 (0.38) | ALDH1A1KMT2AKDM4EMAPTTSHR | |
| Tert-Butyl Formate SCHEMBL27699535 | 0.73 | BRD4 (0.52) | MEN1KMT2AMAPTTSHRGAA | |
| Tert-Butyl Formate SCHEMBL28781896 | 0.72 | BRD4 (0.41) | MEN1KMT2AMAPTTSHRGAA | |
| Tert-Butyl Formate SCHEMBL27720211 | 0.72 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2AKDM4EMCOLN3 | |
| Tert-Butyl Formate SCHEMBL28778037 | 0.72 | BRD4 (0.52) | ALDH1A1MEN1KMT2AKDM4EMCOLN3 |
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-101146770-A | 2-phenyl indoles as prostaglandin D2 receptor antagonists | AVENTIS PHARMA INC (US) | 2008-03-19 | — | — | CN | disclosed |