Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | RAPGEF4 | Q8WZA2 | 5/20 | 0.57 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CCR4 | P51679 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL44754 | 0.89 | NPSR1 (0.55) | NPSR1RAPGEF4AKR1C3AKR1C2MAPT | |
| SCHEMBL4544787 | 0.86 | NFKB1 (0.59) | NPSR1RAPGEF4MAPTHTTNFKB1 | |
| SCHEMBL429859 | 0.86 | GAA (0.62) | NPSR1RAPGEF4MAPTNFKB1GAA | |
| SCHEMBL29473561 | 0.86 | GAA (0.62) | NPSR1RAPGEF4MAPTNFKB1GAA | |
| SCHEMBL6328735 | 0.85 | RAPGEF4 (0.67) | RAPGEF4MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7001007 | 0.85 | RAPGEF4 (0.53) | NPSR1RAPGEF4AKR1C3AKR1C2MAPT | |
| SCHEMBL12019820 | 0.84 | NPSR1 (0.59) | NPSR1RAPGEF4AKR1C3AKR1C2MAPT | |
| SCHEMBL3690304 | 0.84 | NPSR1 (0.64) | NPSR1AKR1C3AKR1C2MAPTCYP1A2 | |
| SCHEMBL20930891 | 0.83 | RAPGEF4 (0.67) | RAPGEF4AKR1C3AKR1C2MAPTHTT | |
| SCHEMBL1921159 | 0.83 | RAPGEF4 (0.65) | RAPGEF4MAPTHTTNFKB1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018056546-A1 | NOVEL COMPOUND, CORE-SHELL DYE, AND PHOTOSENSITIVE RESIN COMPOSITION AND COLOR FILTER COMPRISING SAME | 삼성에스디아이 주식회사 | 2018-03-29 | — | — | WO | disclosed |
| EP-1354887-B1 | Ligands for metals and improved metal-catalyzed processes based thereon | MASSACHUSETTS INST TECHNOLOGY (US) | 2007-04-25 | — | — | EP | disclosed |
| EP-1097158-B1 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INST TECHNOLOGY (US) | 2006-01-25 | — | — | EP | disclosed |