Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | BRCA1 | P38398 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | FTO | Q9C0B1 | 10/20 | 0.54 |
| ▸ | RECQL | P46063 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | SMAD3 | P84022 | 2/20 | 0.51 |
| ▸ | BLM | P54132 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.51 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9068067 | 0.95 | ALDH1A1 (0.58) | ALDH1A1HPGDBRCA1HSD17B10ALOX12 | |
| SCHEMBL8383467 | 0.94 | ALDH1A1 (0.59) | ALDH1A1HPGDBRCA1HSD17B10ALOX12 | |
| SCHEMBL29361906 | 0.85 | ALDH1A1 (0.63) | ALDH1A1HPGDBRCA1HSD17B10ALOX12 | |
| SCHEMBL30887311 | 0.85 | ALDH1A1 (0.63) | ALDH1A1HPGDBRCA1HSD17B10ALOX12 | |
| SCHEMBL134733 | 0.85 | ALDH1A1 (0.63) | ALDH1A1HPGDBRCA1HSD17B10ALOX12 | |
| SCHEMBL30887310 | 0.85 | ALDH1A1 (0.63) | ALDH1A1HPGDBRCA1HSD17B10ALOX12 | |
| SCHEMBL5453230 | 0.84 | ALDH1A1 (0.62) | ALDH1A1HPGDBRCA1HSD17B10ALOX12 | |
| SCHEMBL8518074 | 0.83 | HPGD (0.51) | ALDH1A1HPGDBRCA1HSD17B10ALOX12 | |
| SCHEMBL8385577 | 0.83 | HPGD (0.51) | ALDH1A1HPGDBRCA1HSD17B10ALOX12 | |
| SCHEMBL8386327 | 0.81 | HPGD (0.51) | ALDH1A1HPGDBRCA1HSD17B10ALOX12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1285001-A | Methods for simultaneous identification of novel biological targets and lead structures for drug development | SEPRACOR INC (US) | 2001-02-21 | — | — | CN | disclosed |
| EP-1049796-A1 | METHODS FOR THE SIMULTANEOUS IDENTIFICATION OF NOVEL BIOLOGICAL TARGETS AND LEAD STRUCTURES FOR DRUG DEVELOPMENT | SEPRACOR, INC. (US) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999031267-A1 | METHODS FOR THE SIMULTANEOUS IDENTIFICATION OF NOVEL BIOLOGICAL TARGETS AND LEAD STRUCTURES FOR DRUG DEVELOPMENT | SEPRACOR INC. (US) | 1999-06-24 | — | — | WO | disclosed |