Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KDM5C | P41229 | 1/20 | 0.36 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.36 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.36 |
| ▸ | ECE1 | P42892 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28211650 | 0.88 | MMP2 (0.38) | CYP2D6TSHRCYP2C19CYP3A4LMNA | |
| SCHEMBL4760493 | 0.82 | — | — | |
| SCHEMBL2897506 | 0.81 | ECE1 (0.56) | CYP2D6TSHRCYP2C19CYP3A4LMNA | |
| SCHEMBL28969880 | 0.80 | CA1 (0.39) | CYP2D6TSHRCYP2C19MMP2ALDH1A1 | |
| SCHEMBL7204674 | 0.80 | CASP2 (0.52) | CYP2D6TSHRCYP2C19CYP3A4LMNA | |
| SCHEMBL12829898 | 0.80 | CASP2 (0.46) | CYP2D6TSHRCYP2C19CYP3A4LMNA | |
| SCHEMBL30526142 | 0.79 | ECE1 (0.54) | CYP2D6TSHRCYP2C19CYP3A4LMNA | |
| SCHEMBL13788601 | 0.79 | ECE1 (0.54) | CYP2D6TSHRCYP2C19CYP3A4LMNA | |
| SCHEMBL19524588 | 0.79 | CA5B (0.50) | CYP2D6TSHRCYP2C19CYP3A4LMNA | |
| SCHEMBL14002749 | 0.79 | ALDH1A1 (0.43) | CYP2D6TSHRCYP2C19CYP3A4LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3432934-B1 | PRODRUGS OF CYTOTOXIC AGENTS WITH ENZYMATICALLY CLEAVABLE GROUPS | Bayer Pharma AG (DE) | 2022-02-23 | — | — | EP | disclosed |