Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 SCHEMBL28792406 | 0.98 | TDP1 (0.59) | TDP1 | |
| Cyclooctane SCHEMBL21693719 | 0.83 | TDP1 (0.81) | TDP1 | |
| Tert-Butyl Formate SCHEMBL1671 | 0.75 | — | — | |
| Tert-Butyl Formate SCHEMBL30378535 | 0.75 | TDP1 (1.00) | TDP1 | |
| SCHEMBL7104179 | 0.74 | ALDH1A1 (0.44) | EPHX1KMT2A | |
| Tert-Butyl Formate SCHEMBL9398245 | 0.72 | — | — | |
| Tert-Butyl Formate SCHEMBL4984399 | 0.72 | — | — | |
| Tert-Butyl Formate SCHEMBL15687802 | 0.72 | — | — | |
| Tert-Butyl Formate SCHEMBL28465801 | 0.72 | — | — | |
| Tert-Butyl Formate SCHEMBL17956883 | 0.72 | TDP1 (0.68) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105683192-A | Imidazopyridazines useful as inhibitors of the par-2 signaling pathway | 沃泰克斯药物股份有限公司 | 2016-06-15 | — | — | CN | disclosed |
| CN-1061351-C | Intermediate diaza or oxadiaza bicyclic compounds | BAYER AG (DE) | 2001-01-31 | — | — | CN | disclosed |
| CN-1212256-A | Quinolone-and naphthyridonecarboxylic acid derivatives | BAYER AG (DE) | 1999-03-31 | — | — | CN | disclosed |
| CN-1192440-A | Intermediate diaza or oxadiaza bicyclic compounds | BAYER AG (DE) | 1998-09-09 | — | — | CN | disclosed |
| CN-1074218-A | Quinolone-and naphthyridonecarboxylic acid derivatives | BAYER AG (DE) | 1993-07-14 | — | — | CN | disclosed |