Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ADH1B | P00325 | 1/20 | 0.35 |
| ▸ | ADH1C | P00326 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
| ▸ | ADH7 | P40394 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10133361 | 0.84 | ALDH1A1 (0.52) | ALDH1A1ADH1BADH1CADH1AADH7 | |
| SCHEMBL17383380 | 0.81 | ALDH1A1 (0.48) | ALDH1A1ADH1BADH1CADH1AADH7 | |
| SCHEMBL4598099 | 0.81 | HTR6 (0.50) | ALDH1A1HTR6 | |
| SCHEMBL19279237 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TSHRADH1BADH1CADH1A | |
| SCHEMBL1188674 | 0.81 | RAPGEF4 (0.49) | ALDH1A1GAAMAPT | |
| SCHEMBL14401880 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPT | |
| SCHEMBL12129057 | 0.79 | ALDH1A1 (0.67) | ALDH1A1MAPTLIMK1 | |
| SCHEMBL11616567 | 0.78 | CYP3A4 (0.50) | ALDH1A1ADH1BADH1CADH1AADH7 | |
| SCHEMBL10388289 | 0.78 | GRIN2D (0.47) | ALDH1A1HTR6GAA | |
| SCHEMBL13972907 | 0.77 | SELP (0.52) | ALDH1A1TSHRGAAMAPT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1237061-C | Chemokine receptor binding heterocyclic compounds | ANORMED INC (CA) | 2006-01-18 | — | — | CN | disclosed |
| EP-1242081-A4 | CASPASES AND APOPTOSIS | SMITHKLINE BEECHAM CORP (US) | 2004-07-21 | — | — | EP | disclosed |
| CN-1458929-A | Chemokine receptor binding heterocyclic compounds | ANORMED INC (CA) | 2003-11-26 | — | — | CN | disclosed |
| EP-1001933-A4 | CASPASES AND APOPTOSIS | SMITHKLINE BEECHAM CORP (US) | 2002-11-06 | — | — | EP | disclosed |
| EP-1242081-A1 | CASPASES AND APOPTOSIS | SmithKline Beecham Corporation (US) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001022966-A1 | CASPASES AND APOPTOSIS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-04-05 | — | — | WO | disclosed |
| EP-1001933-A1 | CASPASES AND APOPTOSIS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999006367-A1 | CASPASES AND APOPTOSIS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-02-11 | — | — | WO | disclosed |