Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1055908 | 1.00 | CYP2D6 (0.42) | CYP2D6SRCCYP1A2LMNAMAPK1 | |
| SCHEMBL4870724 | 0.81 | CYP2D6 (0.45) | CYP2D6SRCCYP1A2LMNAMAPK1 | |
| SCHEMBL6570629 | 0.74 | LMNA (0.38) | CYP2D6SRCLMNAMAPK1KDM4E | |
| SCHEMBL4579475 | 0.74 | CYP1A2 (0.48) | CYP2D6SRCCYP1A2PTGS2MAPT | |
| SCHEMBL27583111 | 0.72 | CYP2D6 (0.47) | CYP2D6SRCCYP1A2PTGS2MAPT | |
| SCHEMBL430340 | 0.72 | CYP1A2 (0.47) | CYP2D6CYP1A2PTGS2MAPTALDH1A1 | |
| SCHEMBL4365780 | 0.72 | CYP1A2 (0.47) | CYP2D6CYP1A2PTGS2MAPTALDH1A1 | |
| Bicarbonate SCHEMBL27539068 | 0.71 | CYP2D6 (0.55) | CYP2D6CYP1A2LMNAPTGS2MAPT | |
| SCHEMBL17582896 | 0.71 | CYP2D6 (0.46) | CYP2D6CYP1A2LMNAPTGS2MAPT | |
| SCHEMBL11426254 | 0.71 | CYP2D6 (0.50) | CYP2D6SRCCYP1A2PTGS2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2500088-A2 | Molecular recognition material and production method thereof | Shiseido Co., Ltd. (JP) | 2012-09-19 | — | — | EP | disclosed |
| US-20110021347-A1 | Molecule Recognizing Material And Process For Producing The Molecule Recognizing Material | KEIO UNIVERSITY (JP) | 2011-01-27 | — | — | US | disclosed |
| EP-2198952-A1 | MOLECULE RECOGNIZING MATERIAL AND PROCESS FOR PRODUCING THE MOLECULE RECOGNIZING MATERIAL | Keio University (JP) | 2010-06-23 | — | — | EP | disclosed |