Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 7/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 3/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29739597 | 0.82 | CYP2A13 (0.50) | CYP2A13HSD17B10CYP2C9ALOX15CNR2 | |
| SCHEMBL21756936 | 0.81 | CYP2A13 (0.47) | CYP2A13HSD17B10CYP2C9ALOX15CNR2 | |
| SCHEMBL26739641 | 0.79 | CNR2 (0.48) | CYP2A13HSD17B10CYP2C9ALOX15CNR2 | |
| SCHEMBL15546497 | 0.78 | CYP2A13 (0.61) | CYP2A13HSD17B10CYP2C9ALOX15KMT2A | |
| SCHEMBL29739421 | 0.76 | CTSB (0.57) | CYP2A13CNR2CNR1KMT2AKDM4E | |
| SCHEMBL29177411 | 0.76 | CTSB (0.57) | CYP2A13CNR2CNR1KMT2AKDM4E | |
| SCHEMBL26360010 | 0.75 | CYP2A13 (0.53) | CYP2A13HSD17B10CYP2C9ALOX15CNR2 | |
| SCHEMBL29177403 | 0.73 | CNR2 (0.43) | CYP2A13HSD17B10CYP2C9ALOX15CNR2 | |
| SCHEMBL20465103 | 0.73 | CYP2A13 (0.50) | CYP2A13HSD17B10CYP2C9ALOX15CNR2 | |
| SCHEMBL10290331 | 0.72 | CYP2A13 (0.61) | CYP2A13HSD17B10CYP2C9ALOX15KMT2A |
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-2020039088-A2 | NOVEL COMPOUNDS | Xeniopro GmbH (DE) | 2020-02-27 | — | — | WO | disclosed |