Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | TACR2 | P21452 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5601620 | 1.00 | KCNH2 (0.41) | KCNH2PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL14811605 | 1.00 | KCNH2 (0.41) | KCNH2PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL5599700 | 1.00 | KCNH2 (0.41) | KCNH2PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL5600282 | 1.00 | KCNH2 (0.41) | KCNH2PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL5601118 | 1.00 | KCNH2 (0.41) | KCNH2PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL5603353 | 1.00 | KCNH2 (0.41) | KCNH2PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL5603397 | 1.00 | KCNH2 (0.41) | KCNH2PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL5600913 | 0.98 | KCNH2 (0.38) | KCNH2PTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL3669279 | 0.91 | — | — | |
| SCHEMBL10771608 | 0.89 | ALDH1A1 (0.45) | ALDH1A1LMNATSHR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | claimed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | claimed |
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| EP-1735354-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Company Inc. (US) | 2006-12-27 | — | — | EP | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |
| WO-2005105864-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-10 | — | — | WO | disclosed |
| CN-1104419-C | Benzazepine derivatives with vasopressin agonistic activity | OTSUKA PHARMA CO LTD (JP) | 2003-04-02 | — | — | CN | disclosed |
| CN-1209121-A | Benzazepine Derivatives | OTSUKA PHARMA CO LTD (JP) | 1999-02-24 | — | — | CN | disclosed |
| CN-1104412-A | Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients | OTSUKA PHARMA CO LTD (JP) | 1995-06-28 | — | — | CN | disclosed |