Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | CASP3 | P42574 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31692083 | 1.00 | NOTUM (0.41) | NOTUMNPC1RAB9AKDM4ECASP3 | |
| SCHEMBL14231873 | 0.77 | CYP2A6 (0.45) | NPC1RAB9AKDM4EALDH1A1MAOB | |
| SCHEMBL19683447 | 0.73 | TNKS (0.49) | NPC1RAB9AESR1ALDH1A1MAOB | |
| SCHEMBL19683397 | 0.73 | TNKS (0.49) | NPC1RAB9AESR1ALDH1A1MAOB | |
| SCHEMBL19683686 | 0.71 | NPC1 (0.47) | NPC1RAB9AKDM4EESR1ALDH1A1 | |
| SCHEMBL29719717 | 0.71 | NOTUM (0.53) | NOTUMCASP3POLBGRM2 | |
| SCHEMBL3107538 | 0.68 | NOTUM (0.45) | NOTUMNPC1RAB9AKDM4ECASP3 | |
| SCHEMBL3923998 | 0.68 | ESR1 (0.62) | KDM4EESR1ALDH1A1MAOBMAOA | |
| SCHEMBL3094113 | 0.68 | NOTUM (0.39) | NOTUMNPC1RAB9AKDM4EESR1 | |
| SCHEMBL3102519 | 0.68 | NOTUM (0.42) | NOTUMNPC1RAB9AKDM4EESR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017210072-A1 | ELECTROACTIVE COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-12-07 | — | — | WO | disclosed |