Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.44 |
| ▸ | PTAFR | P25105 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 7/20 | 0.38 |
| ▸ | HTR2C | P28335 | 5/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 SCHEMBL27699524 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KDM4EMEN1KMT2AMCOLN3 | |
| Tert-Butyl Formate SCHEMBL27720070 | 0.75 | NR1H2 (0.38) | ALDH1A1KDM4EKMT2AHTR1ADRD2 | |
| Tert-Butyl Formate SCHEMBL27699609 | 0.71 | PARP1 (0.44) | — | |
| SCHEMBL5509270 | 0.70 | NR1H2 (0.54) | — | |
| Tert-Butyl Formate SCHEMBL27699544 | 0.70 | PTGS2 (0.34) | — | |
| Tert-Butyl Formate SCHEMBL27699608 | 0.70 | PTGES2 (0.35) | — | |
| Tert-Butyl Formate SCHEMBL27720083 | 0.68 | HTR6 (0.32) | — | |
| Tert-Butyl Formate SCHEMBL27699536 | 0.67 | — | — | |
| SCHEMBL4159760 | 0.66 | ALDH1A1 (1.00) | ALDH1A1KDM4EMEN1KMT2AMCOLN3 | |
| Tert-Butyl Formate SCHEMBL28781898 | 0.66 | — | — |
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 |