Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.62 |
| ▸ | MC4R | P32245 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | PHGDH | O43175 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1639828 | 0.89 | SIGMAR1 (0.78) | SIGMAR1MC4RDRD4LMNAPOLB | |
| Pyridine SCHEMBL28100739 | 0.83 | SIGMAR1 (0.62) | SIGMAR1MC4RDRD4LMNAPOLB | |
| Methyl Alcohol SCHEMBL27657573 | 0.81 | SIGMAR1 (0.86) | SIGMAR1MC4RDRD4LMNAPOLB | |
| Pyridine SCHEMBL28099010 | 0.80 | SIGMAR1 (0.58) | SIGMAR1MC4RDRD4LMNAPOLB | |
| Pyridine SCHEMBL28301244 | 0.79 | SIGMAR1 (0.79) | SIGMAR1TSHRCYP2C19ALDH1A1 | |
| SCHEMBL576868 | 0.79 | SIGMAR1 (1.00) | SIGMAR1MC4RDRD4LMNAPOLB | |
| SCHEMBL1041303 | 0.79 | SIGMAR1 (1.00) | SIGMAR1MC4RDRD4LMNAPOLB | |
| SCHEMBL2489199 | 0.79 | SIGMAR1 (1.00) | SIGMAR1MC4RDRD4LMNAPOLB | |
| SCHEMBL1415730 | 0.79 | SIGMAR1 (1.00) | SIGMAR1MC4RDRD4LMNAPOLB | |
| SCHEMBL8188324 | 0.79 | SIGMAR1 (1.00) | SIGMAR1MC4RDRD4LMNAPOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-109701618-A | AEI composite molecular screen and its synthetic method | 中国石油化工股份有限公司 | 2019-05-03 | — | — | CN | claimed |
| CN-106045802-A | Preparation method of alicyclic and aromatic-aliphatic chloroformate | 长江大学 | 2016-10-26 | — | — | CN | disclosed |