Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | REN | P00797 | 1/20 | 0.35 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.34 |
| ▸ | YAP1 | P46937 | 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 | |
|---|---|---|---|---|
| SCHEMBL7984259 | 0.87 | TSHR (0.47) | TSHRCTSKDRD2CTSDBACE1 | |
| SCHEMBL7987630 | 0.79 | MEN1 (0.37) | TSHRALDH1A1POLBSMN1; SMN2DRD2 | |
| SCHEMBL7981046 | 0.76 | MMP13 (0.42) | TSHRALDH1A1POLBRENSMN1; SMN2 | |
| SCHEMBL8109137 | 0.72 | PTPN1 (0.47) | AAK1CTSBCTSSCTSK | |
| SCHEMBL29402224 | 0.70 | ITGB3 (0.42) | RENCTSSCTSKMMP13ADORA1 | |
| SCHEMBL6927349 | 0.69 | ITGB3 (0.46) | RENHDAC4HDAC1HDAC6MMP13 | |
| SCHEMBL29398294 | 0.69 | ITGB3 (0.46) | RENHDAC4HDAC1HDAC6MMP13 | |
| SCHEMBL31278485 | 0.69 | EPHX2 (0.46) | ALDH1A1POLBMAPTSMN1; SMN2YAP1 | |
| SCHEMBL7983717 | 0.68 | CTSS (0.55) | TSHRHDAC4HDAC1HDAC6CTSB | |
| SCHEMBL7983723 | 0.68 | CTSS (0.55) | TSHRHDAC4HDAC1HDAC6CTSB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6284912-B1 | Process for synthesizing para-and/or meta-substituted cyanophenyalanine derivatives | LG CHEMICAL, LTD. (KR) | 2001-09-04 | — | — | US | disclosed |
| EP-1043309-A1 | Process for synthesizing para-and/or meta-substituted cyanophenylalanine derivatives | LG Chemical Ltd. (KR) | 2000-10-11 | — | — | EP | disclosed |