Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | S100A4 | P26447 | 2/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27437419 | 0.84 | CYP1A2 (0.47) | CYP1A2TDP1ERN1GPR35TSHR | |
| SCHEMBL28159153 | 0.78 | CES2 (0.40) | ERN1 | |
| SCHEMBL28046049 | 0.77 | CYP1A2 (0.44) | CYP1A2TDP1GPR35TSHRALDH1A1 | |
| SCHEMBL16119496 | 0.76 | CYP1A2 (0.47) | CYP1A2TDP1GPR35TSHRALDH1A1 | |
| SCHEMBL29509474 | 0.74 | TDP1 (0.47) | CYP1A2TDP1GPR35TSHRALDH1A1 | |
| SCHEMBL16797211 | 0.74 | TDP1 (0.47) | CYP1A2TDP1GPR35TSHRALDH1A1 | |
| SCHEMBL27841207 | 0.73 | TDP1 (0.46) | CYP1A2TDP1GPR35TSHRALDH1A1 | |
| SCHEMBL27806758 | 0.73 | CTSS (0.42) | — | |
| SCHEMBL28909321 | 0.73 | TDP1 (0.45) | CYP1A2TDP1GPR35TSHRALDH1A1 | |
| SCHEMBL9004049 | 0.73 | TDP1 (0.48) | CYP1A2TDP1GPR35TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105228983-A | The compound regulated for kinases and indication thereof | PLEXXIKON INC | 2016-01-06 | — | — | CN | disclosed |