Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 2/20 | 0.34 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
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 SCHEMBL27721169 | 0.91 | TDP1 (0.42) | TDP1SMN1; SMN2MEN1ALDH1A1MAPT | |
| Tert-Butyl Formate SCHEMBL27844340 | 0.86 | HRH2 (0.42) | TDP1SMN1; SMN2MEN1ALDH1A1MAPT | |
| Tert-Butyl Formate SCHEMBL27904056 | 0.85 | ALDH1A1 (0.41) | TDP1SMN1; SMN2MEN1ALDH1A1MAPT | |
| Tert-Butyl Formate SCHEMBL28278636 | 0.85 | GNAO1 (0.46) | TDP1SMN1; SMN2MEN1ALDH1A1MAPT | |
| Tert-Butyl Formate SCHEMBL27601010 | 0.85 | ALDH1A1 (0.41) | TDP1SMN1; SMN2MEN1ALDH1A1MAPT | |
| Tert-Butyl Formate SCHEMBL28039833 | 0.84 | TDP1 (0.42) | TDP1SMN1; SMN2ALDH1A1SIGMAR1KEAP1 | |
| Tert-Butyl Formate SCHEMBL27600872 | 0.84 | TDP1 (0.42) | TDP1SMN1; SMN2MEN1ALDH1A1MAPT | |
| Tert-Butyl Formate SCHEMBL28289076 | 0.84 | MEN1 (0.43) | TDP1SMN1; SMN2MEN1ALDH1A1MAPT | |
| Tert-Butyl Formate SCHEMBL27998227 | 0.83 | TDP1 (0.43) | TDP1SMN1; SMN2MEN1ALDH1A1MAPT | |
| Tert-Butyl Formate SCHEMBL27718748 | 0.81 | TDP1 (0.42) | TDP1SMN1; SMN2MEN1ALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108884083-A | Benzo [ B ] furans as bromodomain inhibitors | 葛兰素史克知识产权第二有限公司 | 2018-11-23 | — | — | CN | disclosed |
| 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 |