Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | PPARG | P37231 | 3/20 | 0.38 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.38 |
| ▸ | RXRA | P19793 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.38 |
| ▸ | F7 | P08709 | 3/20 | 0.32 |
| ▸ | F3 | P13726 | 3/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | PPARD | Q03181 | 2/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8355110 | 0.76 | ALDH1A1 (0.45) | ALDH1A1CYP19A1MAPTPPARGOXER1 | |
| SCHEMBL3019606 | 0.73 | TSHR (0.47) | ALDH1A1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL9442174 | 0.73 | — | — | |
| SCHEMBL13210188 | 0.73 | SQLE (0.37) | ALDH1A1MAPTKMT2AMEN1CYP3A4 | |
| SCHEMBL3019063 | 0.73 | SQLE (0.37) | ALDH1A1MAPTKMT2AMEN1CYP3A4 | |
| SCHEMBL3019061 | 0.73 | SQLE (0.37) | ALDH1A1MAPTKMT2AMEN1CYP3A4 | |
| SCHEMBL2634131 | 0.71 | PPARG (0.41) | ALDH1A1CYP19A1MAPTPPARGOXER1 | |
| SCHEMBL7600587 | 0.70 | — | — | |
| SCHEMBL8852428 | 0.69 | — | — | |
| SCHEMBL7591423 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104114533-B | Novel method for producing methyl citraconitrile | 帝斯曼知识产权资产管理有限公司 | 2016-08-24 | — | — | CN | disclosed |