Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.51 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL946786 | 0.80 | KMT2A (0.62) | KMT2AKDM4ERAB9ATSHRSMN1; SMN2 | |
| SCHEMBL6646671 | 0.80 | NPC1 (0.62) | KMT2AP2RX7KDM4ERAB9ATSHR | |
| SCHEMBL3409741 | 0.76 | KMT2A (0.66) | KMT2AKDM4ERAB9ATSHRSMN1; SMN2 | |
| SCHEMBL13726856 | 0.75 | GRM4 (0.66) | KMT2AP2RX7KDM4EGRM4MEN1 | |
| SCHEMBL45148 | 0.75 | KMT2A (0.73) | KMT2AKDM4ERAB9ATSHRSMN1; SMN2 | |
| SCHEMBL37633 | 0.74 | P2RX7 (0.69) | P2RX7GRM4ALDH1A1 | |
| SCHEMBL5381046 | 0.74 | KDM4E (0.69) | KMT2AKDM4ERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL6642201 | 0.73 | KMT2A (0.67) | KMT2ARAB9ATSHRSMN1; SMN2NPC1 | |
| SCHEMBL29238994 | 0.73 | KMT2A (0.71) | KMT2AKDM4ERAB9ATSHRSMN1; SMN2 | |
| SCHEMBL30533391 | 0.73 | KMT2A (0.71) | KMT2AKDM4ERAB9ATSHRSMN1; SMN2 |
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-105658639-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |
| WO-2012151567-A1 | PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2012-11-08 | — | — | WO | disclosed |