Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | MAOB | P27338 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.30 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.30 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 SCHEMBL27621319 | 0.98 | TDP1 (0.50) | TDP1CYP2D6KMT2ASMN1; SMN2POLB | |
| Tert-Butyl Formate SCHEMBL27766288 | 0.83 | TDP1 (0.46) | TDP1KMT2ASMN1; SMN2POLBCYP1A2 | |
| Tert-Butyl Formate SCHEMBL28100037 | 0.82 | TDP1 (0.50) | TDP1CYP2D6KMT2ASMN1; SMN2CYP1A2 | |
| Tert-Butyl Formate SCHEMBL28099751 | 0.82 | TDP1 (0.50) | TDP1CYP2D6CYP1A2CYP2C19HSD17B10 | |
| Tert-Butyl Formate SCHEMBL28546443 | 0.81 | TDP1 (0.48) | TDP1CYP2D6CYP1A2CYP2C19HSD17B10 | |
| Tert-Butyl Formate SCHEMBL27773484 | 0.81 | TDP1 (0.48) | TDP1CYP2D6SMN1; SMN2CYP1A2CYP2C19 | |
| Tert-Butyl Formate SCHEMBL27772361 | 0.81 | TDP1 (0.48) | TDP1CYP2D6KMT2ASMN1; SMN2CYP1A2 | |
| Tert-Butyl Formate SCHEMBL28876682 | 0.81 | TDP1 (0.48) | TDP1CYP2D6SMN1; SMN2CYP1A2CYP2C19 | |
| Tert-Butyl Formate SCHEMBL27993042 | 0.80 | TDP1 (0.43) | TDP1CYP2D6KMT2ASMN1; SMN2ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27740215 | 0.79 | TDP1 (0.62) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106414438-A | 2-acylaminothiazole derivative or salt thereof | 安斯泰来制药株式会社 | 2017-02-15 | — | — | CN | disclosed |