Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.68 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MARS2 | Q96GW9 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | IGF1R | P08069 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1108434 | 1.00 | ALDH1A1 (0.68) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL5699061 | 0.85 | ALDH1A1 (0.64) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL1983480 | 0.84 | ALDH1A1 (0.72) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL18913904 | 0.84 | ALDH1A1 (0.72) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL240466 | 0.84 | ALDH1A1 (0.72) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL2368297 | 0.84 | ALDH1A1 (0.72) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL27857585 | 0.82 | ALDH1A1 (0.70) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL28436171 | 0.82 | ALDH1A1 (0.70) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL1023275 | 0.82 | ALDH1A1 (0.70) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL4242515 | 0.81 | ALDH1A1 (1.00) | ALDH1A1NPC1MEN1KMT2AKDM4E |
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-1156448-C | Optical isomer of 3-methyl fentanyl, derivant, synthesizing and its analgesic activity | 中国科学院上海药物研究所 | 2004-07-07 | — | — | CN | disclosed |
| CN-1371903-A | Optical isomer of 3-methyl fentanyl, derivant, synthesizing and its analgesic activity | SHANGHAI INST OF DRUG CHINESE (CN) | 2002-10-02 | — | — | CN | disclosed |