Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 4/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5508382 | 0.82 | ALDH1A1 (0.36) | PRKCIALDH1A1MAPTMAPK1ADRA2B | |
| SCHEMBL1662774 | 0.81 | MAPK14 (0.41) | ALDH1A1MAPTMAPK1TDP1LMNA | |
| SCHEMBL8033091 | 0.78 | PRKCI (0.41) | PRKCIALDH1A1MAPTMAPK1TDP1 | |
| SCHEMBL12367898 | 0.77 | ALDH1A1 (0.37) | ALDH1A1MAPTMAPK1TDP1LMNA | |
| SCHEMBL13718688 | 0.77 | GSK3B (0.40) | ALDH1A1MAPTMAPK1TDP1LMNA | |
| SCHEMBL15384343 | 0.77 | MAPT (0.42) | ALDH1A1MAPTMAPK1TDP1LMNA | |
| SCHEMBL239073 | 0.77 | IDO1 (0.35) | ALDH1A1MAPTMAPK1TDP1LMNA | |
| SCHEMBL18403936 | 0.77 | ADRA2B (0.37) | ALDH1A1MAPTMAPK1TDP1LMNA | |
| SCHEMBL784058 | 0.76 | PRKCI (0.53) | PRKCIALDH1A1MAPTMAPK1TDP1 | |
| SCHEMBL306848 | 0.76 | HTT (0.50) | ALDH1A1MAPTTDP1GAAHTT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3882245-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2021-09-22 | — | — | EP | disclosed |
| WO-2018089373-A9 | STEROIDS AND PROTEIN-CONJUGATES THEREOF | REGENERON PHARMACEUTICALS, INC. (US) | 2018-07-12 | — | — | WO | disclosed |
| EP-3327016-A1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2018-05-30 | — | — | EP | disclosed |
| WO-2018089373-A2 | STEROIDS AND PROTEIN-CONJUGATES THEREOF | REGENERON PHARMACEUTICALS, INC. (US) | 2018-05-17 | — | — | WO | disclosed |
| US-7208559-B2 | Ethylened polymer and molded object obtained therefrom | MITSUI CHEMICALS, INC. (JP) | 2007-04-24 | — | — | US | disclosed |
| US-20060135712-A1 | Ethylened polymer and molded object obtained therefrom | MITSUI CHEMICALS, INC. (JP) | 2006-06-22 | — | — | US | disclosed |