Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 7/20 | 0.47 |
| ▸ | ESR1 | P03372 | 12/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2566602 | 1.00 | HSD17B3 (0.47) | HSD17B3ESR1ESR2LMNACYP1A2 | |
| SCHEMBL11506634 | 0.93 | HSD17B3 (0.50) | HSD17B3ESR1ESR2LMNAPTGS1 | |
| SCHEMBL11506636 | 0.93 | HSD17B3 (0.50) | HSD17B3ESR1ESR2LMNAPTGS1 | |
| SCHEMBL3643887 | 0.88 | ESR1 (0.50) | HSD17B3ESR1ESR2LMNACYP1A2 | |
| SCHEMBL3643889 | 0.88 | ESR1 (0.50) | HSD17B3ESR1ESR2LMNACYP1A2 | |
| SCHEMBL1053053 | 0.82 | TBXAS1 (0.45) | ESR1CYP1A2TSHRCYP2C19PTGS2 | |
| SCHEMBL1053054 | 0.82 | TBXAS1 (0.45) | ESR1CYP1A2TSHRCYP2C19PTGS2 | |
| SCHEMBL21462939 | 0.82 | TBXAS1 (0.45) | ESR1CYP1A2TSHRCYP2C19PTGS2 | |
| SCHEMBL3844004 | 0.82 | ESR1 (0.62) | HSD17B3ESR1ESR2 | |
| SCHEMBL11485606 | 0.79 | ESR1 (0.54) | HSD17B3ESR1ESR2LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011133952-A2 | NEW BACTERIUM FOR PRODUCTION OF CHEMICALS AND RECOMBINANTS THEREOF | QTEROS, INC. (US) | 2011-10-27 | — | — | WO | disclosed |
| WO-2011133984-A2 | NEW BACTERIUM FOR PRODUCTION OF CHEMICALS AND RECOMBINANTS THEREOF | QTEROS, INC. (US) | 2011-10-27 | — | — | WO | disclosed |