Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CETP | P11597 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25866101 | 0.91 | TSHR (0.55) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL22441909 | 0.86 | TSHR (0.59) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL28868574 | 0.86 | TSHR (0.81) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL28446240 | 0.83 | XDH (0.50) | TDP1ALDH1A1LMNAKDM4EPOLB | |
| SCHEMBL27876023 | 0.83 | TSHR (0.57) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL28262490 | 0.81 | LMNA (0.55) | TSHRTDP1L3MBTL1MAPK1ALDH1A1 | |
| Diphenylether SCHEMBL27281100 | 0.80 | ALDH1A1 (0.82) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL8432575 | 0.80 | TSHR (0.71) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL28579208 | 0.80 | LMNA (0.66) | TSHRTDP1L3MBTL1MAPK1CYP3A4 | |
| SCHEMBL9278581 | 0.79 | TSHR (0.80) | TSHRTDP1L3MBTL1MAPK1CYP3A4 |
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-2023135499-A1 | PROCESS FOR ROXADUSTAT USING NOVEL INTERMEDIATES | OPTIMUS DRUGS PVT LTD (IN) | 2023-07-20 | — | — | WO | disclosed |