Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.49 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.49 |
| ▸ | ELANE | P08246 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9522384 | 1.00 | ALDH1A1 (0.52) | ALDH1A1SRD5A2SMN1; SMN2HPGDPTGS1 | |
| SCHEMBL2909324 | 0.84 | MAPT (0.66) | ALDH1A1SMN1; SMN2HPGDPTGS1PTGS2 | |
| SCHEMBL7339941 | 0.84 | MAPT (0.66) | ALDH1A1SMN1; SMN2HPGDPTGS1PTGS2 | |
| SCHEMBL2909326 | 0.84 | MAPT (0.66) | ALDH1A1SMN1; SMN2HPGDPTGS1PTGS2 | |
| SCHEMBL9717396 | 0.84 | MEN1 (0.46) | ALDH1A1SMN1; SMN2HPGDPTGS2RAB9A | |
| SCHEMBL8833495 | 0.82 | TSHR (0.50) | ALDH1A1SRD5A2SMN1; SMN2HPGDMAPT | |
| Acetophenone SCHEMBL21331955 | 0.81 | SMN1; SMN2 (0.47) | ALDH1A1SMN1; SMN2HPGDPTGS1PTGS2 | |
| SCHEMBL50522 | 0.80 | ALDH1A1 (0.61) | ALDH1A1SRD5A2SMN1; SMN2HPGDPTGS1 | |
| SCHEMBL10022962 | 0.80 | ALDH1A1 (0.61) | ALDH1A1SRD5A2SMN1; SMN2HPGDPTGS1 | |
| SCHEMBL111850 | 0.80 | TRPA1 (0.47) | ALDH1A1LMNAKDM4EHIF1AMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101029046-A | Substituted isoandrographolide derivative, its production and medicinal composition | CHINA PHARMACEUTICS UNIV (CN) | 2007-09-05 | — | — | CN | claimed |
| US-3988446-A | Glycerides with anti-inflammatory properties | ABBOTT LABORATORIES (US) | 1976-10-26 | — | — | US | claimed |
| EP-0254354-B1 | PHARMACEUTICALLY USEFUL DERIVATIVES OF THIAZOLIDINE-4-CARBOXYLIC ACID | ZAMBON S.p.A. (IT) | 1993-03-31 | — | — | EP | disclosed |
| US-4840936-A | ANTIFLAMMATORY, ANALGESIC AGENT TO PREVENT ARRHYTHMIAS | ZAMBON S.P.A. (IT) | 1989-06-20 | — | — | US | disclosed |
| EP-0254354-A1 | Pharmaceutically useful derivatives of thiazolidine-4-carboxylic acid | ZAMBON S.p.A. (IT) | 1988-01-27 | — | — | EP | disclosed |