Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | NQO2 | P16083 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12471745 | 0.82 | CYP1A2 (0.48) | ALDH1A1CYP2A6NFE2L2KDM4ECYP3A4 | |
| SCHEMBL9412294 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CYP2A6NFE2L2KDM4ECYP3A4 | |
| SCHEMBL19787372 | 0.78 | NFE2L2 (0.64) | ALDH1A1NFE2L2KDM4ECYP3A4LMNA | |
| SCHEMBL10888408 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP2A6NFE2L2KDM4ECYP3A4 | |
| SCHEMBL5151182 | 0.75 | CHRM5 (0.56) | NFE2L2CYP3A4RELANQO2CYP1A2 | |
| SCHEMBL17468467 | 0.74 | MAPT (0.54) | ALDH1A1KDM4ECYP3A4LMNATP53 | |
| SCHEMBL11688441 | 0.73 | ALDH1A1 (0.58) | ALDH1A1CYP2A6NFE2L2KDM4ECYP3A4 | |
| SCHEMBL154967 | 0.73 | ALDH1A1 (0.58) | ALDH1A1CYP2A6NFE2L2KDM4ECYP3A4 | |
| SCHEMBL852777 | 0.73 | ALDH1A1 (0.58) | ALDH1A1CYP2A6NFE2L2KDM4ECYP3A4 | |
| SCHEMBL18144097 | 0.72 | CYP1A1 (0.67) | ALDH1A1NFE2L2KDM4ECYP3A4LMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9856275-B2 | Synthesis and use of fluorinated compounds | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-01-02 | — | — | US | disclosed |
| WO-2014126990-A1 | SYNTHESIS AND USE OF FLUORINATED COMPOUNDS | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2014-08-21 | — | — | WO | disclosed |
| EP-0758013-B1 | Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display | NIPPON OIL CO LTD (JP) | 2000-10-11 | — | — | EP | disclosed |
| US-6034086-A | VIRICIDES; AIDS THERAPY | UBE INDUSTRIES, LTD. | 2000-03-07 | — | — | US | disclosed |
| US-5855971-A | Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film | NIPPON OIL COMPANY, LIMITED (JP) | 1999-01-05 | — | — | US | disclosed |
| EP-0758013-A1 | Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display | NIPPON OIL COMPANY, LIMITED (JP) | 1997-02-12 | — | — | EP | disclosed |
| US-4486444-A | CARBONIC ANHYDRASE INHIBITORS | MERCK & CO., INC. (US) | 1984-12-04 | — | — | US | disclosed |
| US-4477466-A | Acyloxy derivatives of [phenylsulfonyl(or sulfinyl)]thiophenesulfonamide for the topical treatment of elevated intraocular pressure | MERCK & CO., INC. (US) | 1984-10-16 | — | — | US | disclosed |