Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KDM6B | O15054 | 1/20 | 0.33 |
| ▸ | KDM5C | P41229 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.33 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 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 | |
|---|---|---|---|---|
| SCHEMBL5392230 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TSHRKDM4EKDM6BKDM5C | |
| SCHEMBL4267041 | 0.77 | ALDH1A1 (0.46) | ALDH1A1TSHRKDM4EHPGDLMNA | |
| SCHEMBL294521 | 0.76 | TSHR (0.50) | ALDH1A1TSHRKDM4EGAALMNA | |
| SCHEMBL11245474 | 0.75 | — | — | |
| SCHEMBL27277948 | 0.75 | ALDH1A1 (0.44) | ALDH1A1TSHRKDM4EKDM6BKDM5C | |
| SCHEMBL7689524 | 0.74 | TSHR (0.38) | ALDH1A1TSHRKDM4EKDM6BKDM5C | |
| SCHEMBL7685045 | 0.73 | — | — | |
| SCHEMBL15761328 | 0.71 | ALDH1A1 (0.54) | ALDH1A1TSHRKDM4EGAAKDM6B | |
| SCHEMBL4702066 | 0.70 | — | — | |
| SCHEMBL8943892 | 0.70 | — | — |
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 |