Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 2/20 | 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 SCHEMBL27611304 | 0.83 | TDP1 (0.48) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27993015 | 0.83 | TDP1 (0.48) | TDP1ALDH1A1GAAMEN1KMT2A | |
| Tert-Butyl Formate SCHEMBL28313648 | 0.83 | TDP1 (0.48) | TDP1ALDH1A1POLBGAALMNA | |
| Tert-Butyl Formate SCHEMBL27660032 | 0.80 | TDP1 (0.45) | TDP1POLB | |
| Formic Acid Methyl Ester SCHEMBL29248738 | 0.79 | ALDH1A1 (0.33) | ALDH1A1POLBGAAMEN1KMT2A | |
| Tert-Butyl Formate SCHEMBL28792406 | 0.79 | TDP1 (0.59) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28267336 | 0.79 | TDP1 (0.59) | TDP1ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28276350 | 0.78 | TDP1 (0.56) | TDP1KMT2A | |
| Tert-Butyl Formate SCHEMBL27767519 | 0.78 | TDP1 (0.56) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27361307 | 0.78 | TDP1 (0.56) | TDP1KMT2A |
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-101309918-B | [4-(benzo[b]thiophen-2-yl)-pyrimidin-2-yl]-amine derivatives as ikk-beta inhibitors for the treatment of cancer and inflammatory diseases | LILLY CO ELI | 2010-12-29 | — | — | CN | disclosed |
| CN-101309918-A | [4-(benzo[b]thiophen-2-yl)-pyrimidin-2-yl]-amine derivatives as ikk-beta inhibitors for the treatment of cancer and inflammatory diseases | LILLY CO ELI (US) | 2008-11-19 | — | — | CN | disclosed |