Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 1/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | ESRRB | O95718 | 1/20 | 0.36 |
| ▸ | ESRRA | P11474 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | PRKDC | P78527 | 2/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25524046 | 0.84 | TGFBR1 (0.44) | TGFBR1AAK1CHEK1GSK3BMKNK1 | |
| SCHEMBL25521410 | 0.80 | RAF1 (0.41) | MAPKAPK2SLC22A12MAP4K4 | |
| SCHEMBL25521565 | 0.79 | TGFBR1 (0.34) | TGFBR1MAPKAPK2 | |
| SCHEMBL25523476 | 0.78 | MAPKAPK2 (0.46) | MAPKAPK2SLC22A12 | |
| SCHEMBL25521679 | 0.76 | TLR9 (0.41) | TGFBR1EGFRPRKDCALDH1A1HSD17B10 | |
| SCHEMBL25520064 | 0.73 | TLR8 (0.44) | TGFBR1MAPKAPK2EGFRALDH1A1HSD17B10 | |
| SCHEMBL20732859 | 0.73 | CYP1A2 (0.54) | TGFBR1GSK3BMAPKAPK2ALDH1A1CYP1A2 | |
| SCHEMBL25522432 | 0.72 | NR4A2 (0.45) | TGFBR1EGFRPRKDCCYP3A4HSD17B10 | |
| SCHEMBL25521671 | 0.72 | MAP4K4 (0.58) | MAP4K4 | |
| SCHEMBL264468 | 0.70 | TGFBR1 (0.51) | TGFBR1MAPKAPK2SLC22A12TNFALDH1A1 |
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-2023086428-A2 | NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF | ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-05-19 | — | — | WO | disclosed |