Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 2/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7987575 | 0.86 | SCN9A (0.51) | — | |
| SCHEMBL7981046 | 0.79 | MMP13 (0.42) | ALDH1A1CXCR2EPHX2TSHRLMNA | |
| SCHEMBL252270 | 0.78 | CXCR2 (0.64) | ALDH1A1CXCR2KMT2ATSHRLMNA | |
| SCHEMBL252030 | 0.78 | CXCR2 (0.64) | ALDH1A1CXCR2KMT2ATSHRLMNA | |
| SCHEMBL7984913 | 0.75 | ALDH1A1 (0.47) | ALDH1A1MCL1LMNAGAA | |
| SCHEMBL16254366 | 0.74 | ALDH1A1 (0.55) | ALDH1A1KDM4EMMP1CACNA1BKMT2A | |
| SCHEMBL26619664 | 0.73 | L3MBTL1 (0.47) | ALDH1A1KDM4ECXCR2KMT2AL3MBTL1 | |
| SCHEMBL7981047 | 0.70 | PTPN1 (0.51) | CACNA1B | |
| SCHEMBL12817580 | 0.70 | CA12 (0.49) | ALDH1A1KDM4ECXCR2KMT2ATSHR | |
| SCHEMBL2854766 | 0.70 | ALDH1A1 (0.46) | ALDH1A1CXCR2KMT2ATSHRLMNA |
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 |