Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | 0.97 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1USP2HPGD | |
| SCHEMBL7700314 | 0.95 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1USP2HPGD | |
| SCHEMBL7690148 | 0.94 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1GAATSHR | |
| SCHEMBL3664444 | 0.80 | TSHR (0.58) | ALDH1A1MAPK1L3MBTL1USP2HPGD | |
| SCHEMBL23518932 | 0.79 | ALDH1A1 (0.54) | ALDH1A1MAPK1L3MBTL1GAATSHR | |
| SCHEMBL294341 | 0.79 | ALDH1A1 (0.73) | ALDH1A1MAPK1L3MBTL1SMN1; SMN2NPC1 | |
| SCHEMBL16321255 | 0.79 | EPHX2 (0.52) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL20954411 | 0.78 | CYP19A1 (0.48) | ALDH1A1GAAKMT2ACYP2C9 | |
| SCHEMBL20954379 | 0.78 | KMT2A (0.45) | ALDH1A1L3MBTL1GAASMN1; SMN2KMT2A | |
| SCHEMBL7639964 | 0.78 | FKBP1A (0.50) | ALDH1A1MAPK1L3MBTL1USP2HPGD |
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 |