Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.50 |
| ▸ | PPARG | P37231 | 7/20 | 0.50 |
| ▸ | PPARD | Q03181 | 7/20 | 0.50 |
| ▸ | PPARA | Q07869 | 7/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TLR2 | O60603 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | FABP4 | P15090 | 2/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2122156 | 0.85 | CES2 (0.57) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL10810427 | 0.83 | CES2 (0.59) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL2123030 | 0.79 | CES2 (0.50) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL2124601 | 0.78 | CES1 (0.55) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL18199903 | 0.77 | CES2 (0.48) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL18199908 | 0.77 | TSHR (0.48) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL18189002 | 0.77 | CES2 (0.52) | GPR84PPARGPPARDPPARAHDAC11 | |
| SCHEMBL3021679 | 0.76 | — | — | |
| SCHEMBL11037635 | 0.76 | GPR84 (0.54) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL15456677 | 0.76 | PTPN7 (0.59) | AKR1B1ALDH1A1TDP1MEN1KMT2A |
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-2016176560-A1 | CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-11-03 | — | — | WO | disclosed |