Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 6/20 | 0.55 |
| ▸ | EPHA2 | P29317 | 4/20 | 0.52 |
| ▸ | CASP7 | P55210 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | BLM | P54132 | 2/20 | 0.52 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MDM4 | O15151 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.52 |
| ▸ | VDR | P11473 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1490581 | 1.00 | GPBAR1 (0.55) | GPBAR1EPHA2CASP7HSD17B10TDP1 | |
| SCHEMBL2155401 | 0.89 | CYP2D6 (0.62) | TP53LMNAUSP2POLA1CDC25A | |
| SCHEMBL29689457 | 0.89 | CYP2D6 (0.62) | TP53LMNAUSP2POLA1CDC25A | |
| SCHEMBL5154450 | 0.87 | VDR (0.69) | GPBAR1EPHA2CASP7HSD17B10TDP1 | |
| SCHEMBL5667888 | 0.87 | VDR (0.69) | GPBAR1EPHA2CASP7HSD17B10TDP1 | |
| SCHEMBL5790619 | 0.86 | ST6GAL1 (0.50) | GPBAR1EPHA2CASP7HSD17B10TDP1 | |
| SCHEMBL232939 | 0.86 | GPBAR1 (0.57) | GPBAR1EPHA2CASP7HSD17B10TDP1 | |
| SCHEMBL22495528 | 0.85 | GPBAR1 (0.56) | GPBAR1EPHA2CASP7HSD17B10TDP1 | |
| SCHEMBL9580266 | 0.85 | OSBP (0.52) | GPBAR1EPHA2CASP7HSD17B10TDP1 | |
| SCHEMBL7528741 | 0.84 | GRIN2A (0.52) | GPBAR1EPHA2CASP7HSD17B10TDP1 |
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-20040152146-A1 | Methods for screening compounds for use in the treatment of disease | ENCORE PHARMACEUTICALS, INC. | 2004-08-05 | — | — | US | disclosed |
| WO-2004055200-A2 | METHODS FOR SCREENING COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE | ENCORE PHARMACEUTICALS, INC. (US) | 2004-07-01 | — | — | WO | disclosed |