Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TACR1 | P25103 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL23306550 | 1.00 | EGFR (0.51) | EGFRTP53TACR1MMP8POLB | |
| SCHEMBL23332003 | 0.90 | EGFR (0.49) | EGFRTP53TACR1MMP8POLB | |
| SCHEMBL23331979 | 0.90 | EGFR (0.49) | EGFRTP53TACR1MMP8POLB | |
| SCHEMBL8980296 | 0.86 | TACR1 (0.54) | EGFRTP53TACR1MMP8POLB | |
| SCHEMBL22352567 | 0.86 | TACR1 (0.54) | EGFRTP53TACR1MMP8POLB | |
| SCHEMBL9405475 | 0.85 | EGFR (0.52) | EGFRTP53TACR1MMP8POLB | |
| SCHEMBL15223631 | 0.82 | EGFR (0.54) | EGFRTP53TACR1MMP8POLB | |
| SCHEMBL12149993 | 0.82 | POLB (0.63) | TP53TACR1MMP8POLBGAA | |
| SCHEMBL23306684 | 0.82 | TP53 (0.56) | EGFRTP53TACR1MMP8POLB | |
| SCHEMBL23306683 | 0.82 | TP53 (0.56) | EGFRTP53TACR1MMP8POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021087082-A1 | PRODRUGS OF ITACONATE AND METHYL ITACONATE | THE JOHNS HOPKINS UNIVERSITY (US) | 2021-05-06 | — | — | WO | disclosed |