Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 7/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 7/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4607185 | 0.87 | ADRB3 (0.46) | CYP1A2CYP2C9CYP2C19MAPTKDM4E | |
| SCHEMBL4608053 | 0.85 | MAPT (0.50) | MAPTADRB3ADRB2ADRB1HSD17B10 | |
| SCHEMBL4608603 | 0.84 | ADRB3 (0.49) | KDM4EADRB3ADRB2ADRB1ALDH1A1 | |
| SCHEMBL4606968 | 0.83 | ADRB3 (0.42) | MAPTADRB3ADRB2ADRB1HSD17B10 | |
| SCHEMBL4607632 | 0.83 | MET (0.41) | CYP1A2CYP2C9CYP2C19MAPTADRB3 | |
| SCHEMBL2991230 | 0.81 | ADRB3 (0.58) | ADRB3ADRB2ADRB1DNM1 | |
| SCHEMBL4608607 | 0.79 | ALDH1A1 (0.44) | CYP2C9CYP2C19PKMADRB3ADRB2 | |
| SCHEMBL4605132 | 0.77 | ADRB3 (0.46) | MAPTKDM4EADRB3ADRB2ADRB1 | |
| SCHEMBL4607629 | 0.77 | KDM4E (0.52) | CYP1A2CYP2C9CYP2C19MAPTKDM4E | |
| SCHEMBL4607514 | 0.76 | ADRB3 (0.49) | KDM4EADRB3ADRB2ADRB1DNM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1945612-A2 | HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS | Orchid Research Laboratories Limited (IN) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007042912-A2 | HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-04-19 | — | — | WO | disclosed |