Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DEPTOR | Q8TB45 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27492094 | 0.78 | PGR (0.44) | DEPTORALDH1A1TP53HPGDSMN1; SMN2 | |
| SCHEMBL16566819 | 0.78 | HSD11B1 (0.44) | DEPTORALDH1A1HPGDRAB9AHSD11B1 | |
| SCHEMBL12985284 | 0.76 | SMPD2 (0.40) | DEPTORTSHRALDH1A1CES2CES1 | |
| SCHEMBL783891 | 0.73 | CES1 (0.50) | DEPTORTSHRALDH1A1CES2CES1 | |
| SCHEMBL29876664 | 0.73 | CES1 (0.50) | DEPTORTSHRALDH1A1CES2CES1 | |
| SCHEMBL9849003 | 0.73 | CES1 (0.50) | DEPTORTSHRALDH1A1CES2CES1 | |
| SCHEMBL11376949 | 0.73 | PGR (0.56) | ALDH1A1CES2CES1HPGDRAB9A | |
| SCHEMBL31266570 | 0.72 | CPA3 (0.42) | TSHRALDH1A1TP53HPGDTDP1 | |
| SCHEMBL28797503 | 0.72 | CPA3 (0.42) | TSHRALDH1A1TP53HPGDTDP1 | |
| SCHEMBL19875704 | 0.72 | CES1 (0.48) | DEPTORTSHRALDH1A1CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0751929-A1 | ANALYSIS METHOD FOR TESTING FOR TRACES OF BETA-AGONISTS AND BETA-ANTAGONISTS | UNIVERSITEIT GENT, LABORATORIUM ORGANISCHE CHEMIE, FAKULTEIT LANDBOUWKUNDIGE EN TOEGEPASTE BIOLOGISCHE WETENSCHAPPEN (BE) | 1997-01-08 | — | — | EP | disclosed |
| WO-1995026330-A1 | ANALYSIS METHOD FOR TESTING FOR TRACES OF BETA-AGONISTS AND BETA-ANTAGONISTS | UNIVERSITEIT GENT, LABORATORIUM ORGANISCHE CHEMIE, FAKULTEIT LANDBOUWKUNDIGE EN TOEGEPASTE BIOLOGISCHE WETENSCHAPPEN (BE) | 1995-10-05 | — | — | WO | disclosed |