Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28471532 | 0.86 | ALDH1A1 (0.40) | IRAK4L3MBTL1ALDH1A1MAPK1TSHR | |
| SCHEMBL30817826 | 0.86 | ALDH1A1 (0.40) | IRAK4L3MBTL1ALDH1A1MAPK1TSHR | |
| SCHEMBL21187359 | 0.86 | ALDH1A1 (0.40) | IRAK4L3MBTL1ALDH1A1MAPK1TSHR | |
| SCHEMBL21187296 | 0.77 | SYK (0.47) | IRAK4HIF1ACLK4LMNACYP1A2 | |
| SCHEMBL30817825 | 0.77 | SYK (0.47) | IRAK4HIF1ACLK4LMNACYP1A2 | |
| SCHEMBL21178138 | 0.77 | SYK (0.47) | IRAK4HIF1ACLK4LMNACYP1A2 | |
| SCHEMBL21187340 | 0.75 | IRAK4 (0.38) | IRAK4HIF1ACLK4LMNACYP1A2 | |
| SCHEMBL21187331 | 0.72 | MEN1 (0.38) | IRAK4ALDH1A1MAPK1TSHRCYP2C19 | |
| SCHEMBL21178069 | 0.72 | MEN1 (0.38) | IRAK4ALDH1A1MAPK1TSHRCYP2C19 | |
| SCHEMBL30823285 | 0.72 | MEN1 (0.38) | IRAK4ALDH1A1MAPK1TSHRCYP2C19 |
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-2019143678-A1 | DNA-PK INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-07-25 | — | — | WO | disclosed |