Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27405017 | 0.88 | POLB (0.36) | CYP2C19HIF1AKDM4ECYP11B1CYP11B2 | |
| SCHEMBL688676 | 0.85 | KEAP1 (0.40) | ALDH1A1MAPTGAAHTTPOLB | |
| SCHEMBL689517 | 0.82 | CYP11B1 (0.36) | CYP11B1CYP11B2TSHRKMT2A | |
| SCHEMBL7980823 | 0.79 | TDP1 (0.34) | CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL21293520 | 0.79 | PGK1 (0.37) | CYP11B1CYP11B2 | |
| SCHEMBL23532128 | 0.79 | CYP11B1 (0.36) | CYP11B1CYP11B2ALDH1A1LMNATSHR | |
| SCHEMBL21293423 | 0.79 | CYP11B1 (0.36) | CYP2C19HIF1ACYP1A2CYP11B1CYP11B2 | |
| SCHEMBL8390628 | 0.79 | CYP11B1 (0.36) | CYP2C19HIF1ACYP1A2CYP11B1CYP11B2 | |
| SCHEMBL27404242 | 0.78 | CYP11B1 (0.33) | CYP11B1CYP11B2 | |
| SCHEMBL690067 | 0.77 | MEN1 (0.36) | KDM4ECYP11B1CYP11B2ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6174877-B1 | EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-16 | — | — | US | disclosed |