Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | CTSG | P08311 | 1/20 | 0.37 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.37 |
| ▸ | CMA1 | P23946 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6400748 | 0.76 | CYP2C19 (0.53) | CYP2C19HIF1APRSS1CTSGCTRB1 | |
| SCHEMBL12192372 | 0.73 | CYP2C19 (0.50) | CYP2C19HIF1APRSS1CTSGCTRB1 | |
| SCHEMBL14090854 | 0.72 | MAPT (0.42) | CYP2C19HIF1AKDM4EPOLBTSHR | |
| SCHEMBL3345472 | 0.69 | CYP2C19 (0.50) | CYP2C19HIF1AKDM4EPOLBTSHR | |
| Benzoic Acid SCHEMBL10776646 | 0.68 | TSHR (0.58) | CYP2C19HIF1AKDM4EPOLBTSHR | |
| SCHEMBL4881466 | 0.67 | HIF1A (0.52) | CYP2C19HIF1AKDM4EPOLBTSHR | |
| SCHEMBL7708918 | 0.67 | HIF1A (0.52) | CYP2C19HIF1AKDM4EPOLBTSHR | |
| SCHEMBL23064499 | 0.67 | MAPT (0.50) | CYP2C19HIF1AKDM4EPOLBTSHR | |
| Hydrochloric Acid SCHEMBL10431496 | 0.67 | MAPT (0.50) | CYP2C19HIF1AKDM4EPOLBTSHR | |
| Hydrochloric Acid SCHEMBL5860902 | 0.67 | CYP2C19 (0.62) | CYP2C19HIF1AKDM4EMAPTCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006030208-A1 | AMINO ACID | UNIVERSITY OF LEEDS (GB) | 2006-03-23 | — | — | WO | claimed |
| WO-2006030208-A1 | AMINO ACID | UNIVERSITY OF LEEDS (GB) | 2006-03-23 | — | — | WO | disclosed |