Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 1/20 | 0.30 |
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 SCHEMBL27584105 | 0.86 | TDP1 (0.37) | TDP1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| Tert-Butyl Formate SCHEMBL27584207 | 0.81 | SLC6A2 (0.36) | TDP1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL794596 | 0.81 | TNF (0.44) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| Tert-Butyl Formate SCHEMBL27800480 | 0.79 | CYP2D6 (0.35) | TDP1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| Tert-Butyl Formate SCHEMBL27752469 | 0.77 | CYP2A6 (0.46) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27584210 | 0.74 | GPR84 (0.49) | TDP1GPR84ALOX5APFEN1 | |
| Tert-Butyl Formate SCHEMBL27584172 | 0.74 | TDP1 (0.39) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27584063 | 0.71 | TDP1 (0.37) | TDP1TNFRIPK1 | |
| Tert-Butyl Formate SCHEMBL27601671 | 0.71 | XDH (0.40) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27601875 | 0.71 | TDP1 (0.37) | TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103189361-B | Estrogenic agents and uses thereof | ARAGON PHARMACEUTICALS, INC. (US) | 2015-09-30 | — | — | CN | disclosed |
| CN-103189361-A | Estrogen receptor modulators and use thereof | ARAGON PHARMACEUTICALS INC | 2013-07-03 | — | — | CN | disclosed |