Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21131297 | 0.78 | CYP3A4 (0.62) | CYP3A4ADRA2AKDM4EMAPTLMNA | |
| SCHEMBL8292092 | 0.78 | CYP3A4 (0.62) | CYP3A4ADRA2AKDM4EMAPTLMNA | |
| SCHEMBL16130442 | 0.75 | CYP3A4 (0.40) | CYP3A4ADRA2AKDM4EMAPTLMNA | |
| SCHEMBL12305572 | 0.75 | NPC1 (0.47) | CYP3A4ADRA2AKDM4EMAPTLMNA | |
| SCHEMBL20726017 | 0.74 | DHODH (0.49) | CYP3A4ADRA2AKDM4EMAPTLMNA | |
| SCHEMBL21239424 | 0.73 | CYP3A4 (0.39) | CYP3A4ADRA2AKDM4EMAPTLMNA | |
| SCHEMBL19017627 | 0.73 | KDM4E (0.41) | CYP3A4ADRA2AKDM4EMAPTLMNA | |
| SCHEMBL25047632 | 0.72 | KDM4E (0.43) | CYP3A4ADRA2AKDM4EMAPTLMNA | |
| SCHEMBL14838175 | 0.72 | KDM4E (0.43) | CYP3A4ADRA2AKDM4EMAPTLMNA | |
| SCHEMBL17917633 | 0.72 | KDM4E (0.43) | CYP3A4ADRA2AKDM4EMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2196930-B1 | Cavity induced allosteric modificatin of intermolecular interactions and methods of identifiying compounds that effect the same | UNIV PENNSYLVANIA (US) | 2011-03-23 | — | — | EP | disclosed |