Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9808721 | 0.78 | ALDH1A1 (0.46) | ALDH1A1ADRA2BPTGS1TDP1KDM4E | |
| SCHEMBL2949635 | 0.77 | FABP3 (0.36) | ALDH1A1PTGS1TDP1KDM4EMAPT | |
| SCHEMBL31121779 | 0.74 | HTR7 (0.36) | ALDH1A1ADRA2BKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL24549924 | 0.74 | PPARG (0.44) | ALDH1A1TDP1KDM4ETSHRSMN1; SMN2 | |
| SCHEMBL1505788 | 0.74 | HTR7 (0.36) | ALDH1A1ADRA2BKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL1362672 | 0.73 | ALDH1A1 (0.50) | ALDH1A1ADRA2BPTGS1TDP1KDM4E | |
| SCHEMBL29358156 | 0.73 | ALDH1A1 (0.50) | ALDH1A1ADRA2BPTGS1TDP1KDM4E | |
| SCHEMBL14401524 | 0.71 | ALDH1A1 (0.48) | ALDH1A1ADRA2BPTGS1TDP1KDM4E | |
| SCHEMBL6971578 | 0.71 | SMN1; SMN2 (0.49) | ALDH1A1ADRA2BPTGS1TDP1KDM4E | |
| SCHEMBL4385033 | 0.71 | SMN1; SMN2 (0.49) | ALDH1A1ADRA2BPTGS1TDP1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| JP-2011213642-A | TRIFLUOROVINYLOXY-N-MONOALKYLANILINE COMPOUND AND METHOD FOR PRODUCING THE SAME | UNIMATEC CO LTD | 2011-10-27 | — | — | JP | disclosed |
| US-5364917-A | Perfluorocyclobutane ring-containing polymers | THE DOW CHEMICAL COMPANY (US) | 1994-11-15 | — | — | US | disclosed |