Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.32 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.32 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16882603 | 0.84 | GABRR1 (0.37) | GABRR1LMNAKDM4ECACNA2D1CACNB3 | |
| SCHEMBL28107178 | 0.83 | CYP2C19 (0.42) | LMNACYP2C19ALDH1A1TDP1TP53 | |
| SCHEMBL29243155 | 0.81 | — | — | |
| SCHEMBL6889464 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1654653 | 0.76 | — | — | |
| SCHEMBL16684651 | 0.76 | CYP2C19 (0.54) | CYP2C19ALDH1A1TDP1TP53 | |
| SCHEMBL10710091 | 0.76 | TDP1 (0.47) | CYP2C19ALDH1A1TDP1TP53 | |
| SCHEMBL1177351 | 0.74 | GABRR1 (0.54) | GABRR1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL18052197 | 0.74 | GABRR1 (0.54) | GABRR1CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL1079959 | 0.72 | — | — |
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-103025877-A | Microorganisms and methods for the biosynthesis of aromatics, 2,4-pentadienoate and 1,3-butadiene | GENOMATICA INC | 2013-04-03 | — | — | CN | disclosed |
| US-4285918-A | Regenerative CO2 absorbent | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1981-08-25 | — | — | US | disclosed |