Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Butopyronoxyl SCHEMBL121985 | 0.88 | TSHR (0.42) | TSHRALDH1A1MAPK1TDP1L3MBTL1 | |
| Butopyronoxyl SCHEMBL2374236 | 0.86 | TSHR (0.39) | TSHRALDH1A1MAPK1TDP1L3MBTL1 | |
| Butopyronoxyl SCHEMBL8952222 | 0.85 | TSHR (0.40) | TSHRALDH1A1MAPK1TDP1L3MBTL1 | |
| Butopyronoxyl SCHEMBL9751913 | 0.75 | TDP2 (0.36) | TSHRALDH1A1MAPK1TDP1L3MBTL1 | |
| SCHEMBL9233896 | 0.72 | TSHR (0.65) | TSHRALDH1A1MAPK1TDP1L3MBTL1 | |
| SCHEMBL11304697 | 0.71 | HCAR2 (0.60) | TSHRALDH1A1MAPK1TDP1L3MBTL1 | |
| SCHEMBL1665160 | 0.68 | TSHR (0.65) | TSHRALDH1A1MAPK1TDP1L3MBTL1 | |
| SCHEMBL49678 | 0.67 | TSHR (1.00) | TSHRALDH1A1MAPK1TDP1L3MBTL1 | |
| SCHEMBL11416620 | 0.67 | TSHR (0.78) | TSHRALDH1A1MAPK1TDP1L3MBTL1 | |
| Dibutyl Phthalate SCHEMBL10408632 | 0.67 | TSHR (1.00) | TSHRALDH1A1MAPK1TDP1L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6380400-B1 | DIMETHYLTHIOCARBAMIC ACID ESTER; VIRICIDES | FEDIJ VICTOR (US) | 2002-04-30 | — | — | US | disclosed |
| WO-2000015625-A2 | METHODS OF MAKING DIHYDROPYRONE HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2000-03-23 | — | — | WO | disclosed |