Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30450959 | 1.00 | CYP1A2 (0.46) | CYP1A2MAPK1NPC1RAB9APTPN1 | |
| SCHEMBL997814 | 1.00 | CYP1A2 (0.46) | CYP1A2MAPK1NPC1RAB9APTPN1 | |
| SCHEMBL583285 | 1.00 | CYP1A2 (0.46) | CYP1A2MAPK1NPC1RAB9APTPN1 | |
| SCHEMBL583794 | 0.87 | CYP1A2 (0.43) | CYP1A2MAPK1NPC1RAB9APTPN1 | |
| SCHEMBL1933910 | 0.85 | CYP1A2 (0.54) | CYP1A2PTPN1ALDH1A1TSHRCYP2C9 | |
| SCHEMBL30940437 | 0.83 | CYP1A2 (0.52) | CYP1A2PTPN1ALDH1A1TSHRCYP2C9 | |
| SCHEMBL404851 | 0.83 | MAPK1 (0.46) | MAPK1NPC1RAB9APTPN1ALDH1A1 | |
| SCHEMBL30031482 | 0.83 | KCNN4 (0.45) | MAPK1NPC1RAB9AALDH1A1CES1 | |
| SCHEMBL2398996 | 0.83 | MAPT (0.50) | CYP1A2MAPK1NPC1RAB9APTPN1 | |
| SCHEMBL4454875 | 0.83 | KCNN4 (0.45) | MAPK1NPC1RAB9AALDH1A1CES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20120142063-A1 | NITRILASE BIOCATALYSTS | Codexis ,Inc. (US) | 2012-06-07 | — | — | US | disclosed |
| US-20120142063-A1 | NITRILASE BIOCATALYSTS | Codexis ,Inc. (US) | 2012-06-07 | — | — | US | disclosed |
| WO-2011011630-A2 | NITRILASE BIOCATALYSTS | CODEXIS, INC. (US) | 2011-01-27 | — | — | WO | disclosed |