Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | SCN1A | P35498 | 2/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | THPO | P40225 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1806284 | 0.98 | MYC (0.40) | MYCCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28841517 | 0.96 | MYC (0.39) | MYCCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1806872 | 0.93 | MAOA (0.42) | MYCCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16713743 | 0.91 | CYP3A4 (0.43) | MYCCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6295462 | 0.91 | CYP3A4 (0.43) | MYCCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15578539 | 0.91 | CYP3A4 (0.43) | MYCCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1805940 | 0.87 | TAAR1 (0.50) | MYCCYP1A2TAAR1TTRHTR6 | |
| Fluoride SCHEMBL27730424 | 0.85 | TAAR1 (0.48) | MYCCYP1A2TAAR1TTRHTR6 | |
| SCHEMBL11341783 | 0.85 | MGLL (0.47) | MYCALDH1A1KDM4ETTRMGLL | |
| SCHEMBL337726 | 0.84 | LIPG (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5498605-A | ANTIISCHEMIC AGENTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-03-12 | — | — | US | disclosed |
| WO-1994002497-A1 | SULFO-DERIVATIVES OF ADENOSINE | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1994-02-03 | — | — | WO | disclosed |