Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8194806 | 0.98 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1EPHX1MEN1 | |
| SCHEMBL7689034 | 0.95 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1EPHX1MEN1 | |
| SCHEMBL7690148 | 0.92 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1KMT2ACYP2C19 | |
| SCHEMBL16321255 | 0.83 | EPHX2 (0.52) | ALDH1A1KMT2ACYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL522278 | 0.81 | FABP7 (0.54) | ALDH1A1EPHX1MEN1KMT2ATSHR | |
| SCHEMBL31518977 | 0.81 | FABP7 (0.54) | ALDH1A1EPHX1MEN1KMT2ATSHR | |
| SCHEMBL24376203 | 0.81 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1EPHX1MEN1 | |
| SCHEMBL2703515 | 0.79 | FABP7 (0.55) | ALDH1A1MAPK1L3MBTL1KMT2AGAA | |
| SCHEMBL3706643 | 0.79 | L3MBTL1 (0.51) | ALDH1A1MAPK1L3MBTL1KMT2ACYP2C19 | |
| SCHEMBL20023111 | 0.78 | MEN1 (0.49) | ALDH1A1EPHX1MEN1KMT2ACYP2C19 |
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-6376521-B1 | ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2002-04-23 | — | — | US | disclosed |
| WO-2000002861-A1 | A3 ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-01-20 | — | — | WO | disclosed |