Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10948428 | 0.89 | TSHR (0.47) | CYP2C19CYP3A4ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL27481393 | 0.87 | ESR1 (0.43) | CYP2C19CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7038420 | 0.82 | POLB (0.54) | CYP2C19CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL23027213 | 0.82 | POLB (0.54) | CYP2C19CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9879547 | 0.81 | CYP3A4 (0.43) | CYP3A4ALDH1A1TSHRHSD17B10PKM | |
| Methyl Alcohol SCHEMBL11778530 | 0.81 | CHRM1 (0.58) | CYP2C19CYP3A4ALDH1A1TSHRHSD17B10 | |
| SCHEMBL28333199 | 0.80 | CYP1A2 (0.47) | CYP2C19CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9879148 | 0.80 | ALDH1A1 (0.50) | CYP3A4ALDH1A1TSHRHSD17B10PKM | |
| SCHEMBL28110882 | 0.80 | CYP2C19 (0.50) | CYP2C19CYP3A4CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL2293835 | 0.80 | CYP1A2 (0.47) | CYP2C19CYP3A4CYP1A2CYP2D6CYP2C9 |
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-108367043-A | The conjugate of quaternized tubulysin compound | 西雅图基因公司 | 2018-08-03 | — | — | CN | disclosed |