Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 4/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30388348 | 0.91 | LMNA (0.62) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL4674930 | 0.80 | MEN1 (0.70) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL5661941 | 0.79 | LTA4H (0.59) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL28520700 | 0.78 | MEN1 (0.56) | LMNACYP1A2BCHEMAPTRAB9A | |
| SCHEMBL10609652 | 0.78 | LMNA (0.75) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL5668530 | 0.78 | MAOB (0.50) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL339813 | 0.78 | LMNA (0.82) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL27367676 | 0.78 | LMNA (0.82) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL15761346 | 0.76 | LMNA (0.61) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL13903288 | 0.76 | MAOB (0.59) | LMNACYP1A2PTGS1SLC6A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003094833-A2 | A NEW STEREOSELECTIVE ROUTE TO PRODUCE TRIS-O-SUBSTITUTED-(E)-( 3,5-DIHYDROXYPHENYL)-2-(4- HYDROXYPHENYL)ETHENE | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2003-11-20 | — | — | WO | disclosed |
| US-6552213-B1 | Oxidation and halogenation of such as 3,4',5-tribenzyloxy-dibenzylsulfide; reductive dehalogenation desulfonation; hydrolysis | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED, INDIA (IN) | 2003-04-22 | — | — | US | disclosed |