Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PAM | P19021 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 6/20 | 0.34 |
| ▸ | PPARD | Q03181 | 6/20 | 0.34 |
| ▸ | PPARA | Q07869 | 6/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TLR2 | O60603 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | FABP4 | P15090 | 2/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.34 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.34 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27981471 | 0.93 | FDPS (0.42) | AKR1B1PPARGPPARDPPARATSHR | |
| Ether SCHEMBL8518047 | 0.92 | PAM (0.32) | AKR1B1CA2MAPK1PAMGPR84 | |
| SCHEMBL11591443 | 0.86 | FDPS (0.36) | TSHRALDH1A1TDP1HSD17B10 | |
| SCHEMBL5873985 | 0.84 | FDPS (0.35) | ALDH1A1MEN1KMT2A | |
| SCHEMBL8518050 | 0.82 | SMPD1 (0.37) | AKR1B1PAMTDP1KMT2A | |
| SCHEMBL27688964 | 0.82 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AHSD17B10 | |
| SCHEMBL8089327 | 0.79 | TSHR (0.50) | MAPK1TSHRALDH1A1HSD17B10 | |
| SCHEMBL2702976 | 0.79 | AKR1B1 (0.37) | AKR1B1PAMPPARGPPARDPPARA | |
| Bicarbonate SCHEMBL8518052 | 0.79 | AKR1B1 (0.37) | AKR1B1PAMPPARGPPARDPPARA | |
| Ammonia Solution, Strong SCHEMBL29022925 | 0.77 | AKR1B1 (0.36) | AKR1B1PAMPPARGPPARDPPARA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7091302-B2 | Process for the preparation of polycarbonate | BAYER MATERIALSCIENCE AG (DE) | 2006-08-15 | — | — | US | disclosed |
| US-20050239995-A1 | Process for the preparation of polycarbonate | BAYER MATERIALSCIENCE AG | 2005-10-27 | — | — | US | disclosed |
| US-4191705-A | Process for the preparation of carbonic acid esters of polyester-polyols | BAYER AKTIENGESELLSCHAFT (DE) | 1980-03-04 | — | — | US | disclosed |
| US-4191705-A | Process for the preparation of carbonic acid esters of polyester-polyols | BAYER AKTIENGESELLSCHAFT (DE) | 1980-03-04 | — | — | US | disclosed |