Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 4/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ARG2 | P78540 | 1/20 | 0.33 |
| ▸ | CPT2 | P23786 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL27568612 | 1.00 | CYP4F2 (0.46) | CYP4F2CYP4A11TDP1LMNAFFAR1 | |
| SCHEMBL3203563 | 0.98 | CYP4F2 (0.43) | CYP4F2CYP4A11TDP1LMNAFFAR1 | |
| SCHEMBL27535729 | 0.96 | CYP4F2 (0.40) | CYP4F2CYP4A11TDP1LMNAFFAR1 | |
| SCHEMBL29637097 | 0.84 | SMPD1 (0.42) | LMNAHSD17B10 | |
| SCHEMBL28316089 | 0.84 | SMPD1 (0.42) | LMNAHSD17B10 | |
| SCHEMBL27992369 | 0.84 | SMPD1 (0.42) | LMNAHSD17B10 | |
| SCHEMBL27684735 | 0.84 | PAOX (0.39) | TDP1LMNAFFAR1HSD17B10CPT2 | |
| SCHEMBL27594444 | 0.84 | PAOX (0.39) | TDP1LMNAFFAR1HSD17B10CPT2 | |
| SCHEMBL12274381 | 0.84 | SMPD1 (0.42) | LMNAHSD17B10 | |
| SCHEMBL28507146 | 0.83 | LMNA (0.38) | CYP4F2CYP4A11TDP1LMNAHSD17B10 |
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-107849055-A | Macrocyclic compound as IRAK1/4 inhibitor and application thereof | 默克专利有限公司 | 2018-03-27 | — | — | CN | disclosed |