Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.57 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MC4R | P32245 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | MC3R | P41968 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8478756 | 1.00 | KDM4E (0.57) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL8779941 | 0.81 | KDM4E (0.47) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL8779937 | 0.81 | KDM4E (0.47) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL7702024 | 0.78 | KDM4E (0.50) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL27313644 | 0.78 | KDM4E (0.57) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| SCHEMBL29993937 | 0.76 | — | — | |
| SCHEMBL78340 | 0.76 | — | — | |
| SCHEMBL29742199 | 0.74 | KDM4E (0.61) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| Pyrazine SCHEMBL15798805 | 0.74 | KDM4E (0.61) | KDM4ENAPRTHCAR2ADORA3TSHR | |
| Pyrazinoic Acid SCHEMBL29651929 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5939268-A | DIELS-ALDER REACTION PRODUCT OF A DIENE AND A DIENOPHILE; CHEMICAL INTERMEDIATES FOR DRUGS, SOLID PHASE SYNTHESIS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1999-08-17 | — | — | US | claimed |
| US-5939268-A | DIELS-ALDER REACTION PRODUCT OF A DIENE AND A DIENOPHILE; CHEMICAL INTERMEDIATES FOR DRUGS, SOLID PHASE SYNTHESIS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1999-08-17 | — | — | US | disclosed |
| EP-0773953-A1 | COMBINATORIAL LIBRARIES OF MOLECULES AND METHODS FOR PRODUCING SAME | THE SCRIPPS INSTITUTE (US) | 1997-05-21 | — | — | EP | disclosed |
| WO-1996003424-A1 | COMBINATORIAL LIBRARIES OF MOLECULES AND METHODS FOR PRODUCING SAME | THE SCRIPPS RESEARCH INSTITUTE (US) | 1996-02-08 | — | — | WO | disclosed |