Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 4/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | AGXT | P21549 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.33 |
| ▸ | CACNA1D | Q01668 | 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 | |
|---|---|---|---|---|
| SCHEMBL1059178 | 1.00 | TSHR (0.40) | TSHRTACR1IDO1KMT2AAGXT | |
| SCHEMBL1059509 | 0.79 | EDNRB (0.42) | TSHRSLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL1059507 | 0.79 | EDNRB (0.42) | TSHRSLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL8963799 | 0.78 | ALDH1A1 (0.42) | TSHRKMT2ACA1CA2CA7 | |
| SCHEMBL1059487 | 0.72 | EDNRB (0.40) | KMT2A | |
| SCHEMBL28058949 | 0.72 | MAPK1 (0.33) | TSHRIDO1 | |
| SCHEMBL2325083 | 0.72 | TSHR (0.37) | TSHRIDO1 | |
| SCHEMBL1059489 | 0.72 | EDNRB (0.40) | KMT2A | |
| SCHEMBL15655487 | 0.72 | MAPK1 (0.33) | TSHRIDO1 | |
| SCHEMBL4268612 | 0.72 | MAPK1 (0.33) | TSHRIDO1 |
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 |