Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 5/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6299940 | 0.84 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19KDM4ETSHR | |
| SCHEMBL15835892 | 0.84 | HTR7 (0.48) | HTR7HTR1AHPGD | |
| SCHEMBL4072836 | 0.79 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19KDM4ETSHR | |
| SCHEMBL7242491 | 0.78 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19KDM4ETSHR | |
| SCHEMBL30685866 | 0.77 | OPRM1 (0.46) | HTR7HTR1AHPGD | |
| SCHEMBL18781371 | 0.77 | OPRL1 (0.61) | HTR7HTR1A | |
| SCHEMBL18781369 | 0.77 | OPRL1 (0.61) | HTR7HTR1A | |
| SCHEMBL4982821 | 0.76 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19KDM4ETSHR | |
| SCHEMBL2308910 | 0.75 | CYP1A2 (0.72) | CYP1A2CYP2C9CYP2C19KDM4ETSHR | |
| SCHEMBL2355777 | 0.75 | CYP1A2 (0.72) | CYP1A2CYP2C9CYP2C19KDM4ETSHR |
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-2012025726-A1 | Novel Hybrid Compounds | UNIVERSITY OF GREENWICH (GB) | 2012-03-01 | — | — | WO | disclosed |