Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | GHSR | Q92847 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 2/20 | 0.37 |
| ▸ | MMP13 | P45452 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7982468 | 0.91 | EGFR (0.43) | EGFRGHSRALDH1A1ERBB2PPARA | |
| SCHEMBL7983826 | 0.85 | POLB (0.44) | ALDH1A1MMP1MMP9MMP13KMT2A | |
| SCHEMBL6255018 | 0.83 | GHSR (0.46) | EGFRGHSRALDH1A1ERBB2MMP1 | |
| SCHEMBL6255022 | 0.83 | GHSR (0.46) | EGFRGHSRALDH1A1ERBB2MMP1 | |
| SCHEMBL7984352 | 0.79 | BCHE (0.47) | GHSRALDH1A1BCHEACHEMMP1 | |
| SCHEMBL7980778 | 0.76 | POLB (0.44) | ALDH1A1MMP1MMP9MMP13KMT2A | |
| SCHEMBL7306736 | 0.75 | CXCR2 (0.40) | ALDH1A1PPARACXCR2MMP13MAPT | |
| SCHEMBL7306741 | 0.75 | CXCR2 (0.40) | ALDH1A1PPARACXCR2MMP13MAPT | |
| SCHEMBL7442394 | 0.75 | CXCR2 (0.40) | ALDH1A1PPARACXCR2MMP13MAPT | |
| SCHEMBL7981983 | 0.74 | CA2 (0.43) | ALDH1A1PPARAMAPTKMT2A |
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 1 patent. 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 | claimed |