Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 6/20 | 0.43 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28778037 | 0.93 | BRD4 (0.52) | ALDH1A1L3MBTL1BRD4MCOLN3NR1H2 | |
| SCHEMBL5513244 | 0.91 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1BRD4MCOLN3MEN1 | |
| Tert-Butyl Formate SCHEMBL27699535 | 0.88 | BRD4 (0.52) | BRD4TP53MEN1KMT2AMAPT | |
| Tert-Butyl Formate SCHEMBL28781896 | 0.88 | BRD4 (0.41) | BRD4MEN1KMT2AMAPTGAA | |
| Tert-Butyl Formate SCHEMBL27699606 | 0.87 | CA12 (0.46) | ALDH1A1BRD4MEN1KMT2AKDM4E | |
| Tert-Butyl Formate SCHEMBL27699541 | 0.85 | BRD4 (0.52) | ALDH1A1BRD4KMT2AKDM4EHPGD | |
| Tert-Butyl Formate SCHEMBL27720214 | 0.83 | BRD4 (0.51) | ALDH1A1L3MBTL1BRD4MCOLN3TP53 | |
| Tert-Butyl Formate SCHEMBL27720082 | 0.83 | BRD4 (0.53) | ALDH1A1L3MBTL1BRD4MCOLN3TP53 | |
| SCHEMBL2873486 | 0.83 | BRD4 (0.61) | ALDH1A1L3MBTL1BRD4MCOLN3TP53 | |
| Tert-Butyl Formate SCHEMBL27751358 | 0.81 | BRD4 (0.51) | ALDH1A1L3MBTL1BRD4MCOLN3NR1H2 |
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 |