Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.58 |
| ▸ | MEN1 | O00255 | 6/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | MPO | P05164 | 2/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | BLM | P54132 | 2/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | HTR2A | P28223 | 2/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | HTR1D | P28221 | 1/20 | 0.53 |
| ▸ | HTR1B | P28222 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL931918 | 0.89 | KDM4E (0.66) | MAPTMEN1KMT2AKDM4EMPO | |
| SCHEMBL31383386 | 0.89 | KDM4E (0.66) | MAPTMEN1KMT2AKDM4EMPO | |
| Indolylpropionic Acid SCHEMBL29374161 | 0.84 | MAPT (0.68) | MAPTMEN1KMT2AKDM4EMPO | |
| Indolylpropionic Acid SCHEMBL29521227 | 0.84 | MAPT (0.68) | MAPTMEN1KMT2AKDM4EMPO | |
| Indolylpropionic Acid SCHEMBL195405 | 0.84 | MAPT (0.68) | MAPTMEN1KMT2AKDM4EMPO | |
| SCHEMBL29414366 | 0.83 | MAPT (0.74) | MAPTMEN1KMT2AKDM4EMPO | |
| SCHEMBL27426182 | 0.83 | MAPT (0.74) | MAPTMEN1KMT2AKDM4EMPO | |
| SCHEMBL1769610 | 0.83 | MAPT (0.74) | MAPTMEN1KMT2AKDM4EMPO | |
| SCHEMBL1769607 | 0.83 | MAPT (0.74) | MAPTMEN1KMT2AKDM4EMPO | |
| Indolylpropionic Acid SCHEMBL29272702 | 0.82 | MAPT (0.66) | MAPTMEN1KMT2AKDM4EMPO |
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-104284891-B | Conformationally constrained, fully synthetic macrocyclic compounds | 波利弗尔股份公司 | 2018-04-17 | — | — | CN | disclosed |