Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6176955 | 0.89 | LOXL2 (0.60) | LOXL2CYP1A2NCF1HTR1AADRA1D | |
| SCHEMBL6880778 | 0.87 | CYP19A1 (0.51) | LOXL2CYP3A4KDM4ELMNASMN1; SMN2 | |
| SCHEMBL2331919 | 0.86 | LOXL2 (0.62) | LOXL2CYP1A2NCF1HTR1AADRA1D | |
| SCHEMBL2333461 | 0.86 | LOXL2 (0.62) | LOXL2CYP1A2NCF1HTR1AADRA1D | |
| SCHEMBL7599320 | 0.83 | LOXL2 (0.58) | LOXL2CYP1A2NCF1HTR1AADRA1D | |
| SCHEMBL334360 | 0.82 | LOXL2 (0.67) | LOXL2CYP1A2NCF1HTR1AADRA1D | |
| SCHEMBL31599195 | 0.82 | LOXL2 (0.67) | LOXL2CYP1A2NCF1HTR1AADRA1D | |
| SCHEMBL336172 | 0.81 | LOXL2 (0.67) | LOXL2CYP1A2NCF1HTR1AADRA1D | |
| SCHEMBL453732 | 0.81 | LOXL2 (0.56) | LOXL2CYP1A2NCF1HTR1AADRA1D | |
| SCHEMBL4870247 | 0.81 | LOXL2 (0.56) | LOXL2CYP1A2NCF1HTR1AADRA1D |
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 6 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 |
| EP-0773953-A1 | COMBINATORIAL LIBRARIES OF MOLECULES AND METHODS FOR PRODUCING SAME | THE SCRIPPS INSTITUTE (US) | 1997-05-21 | — | — | EP | claimed |
| WO-1996003424-A1 | COMBINATORIAL LIBRARIES OF MOLECULES AND METHODS FOR PRODUCING SAME | THE SCRIPPS RESEARCH INSTITUTE (US) | 1996-02-08 | — | — | WO | claimed |
| CN-108276382-A | Cell cycle protein dependent kinase inhibitor and its application | 南京圣和药业股份有限公司 | 2018-07-13 | — | — | CN | disclosed |
| CN-104168958-B | Diaryl sulfonamides useful for the treatment of inflammation and cancer | 坎塞拉有限公司 | 2017-12-01 | — | — | CN | disclosed |
| US-5817822-A | ANTITUOR, ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS | NOVARTIS CORPORATION (US) | 1998-10-06 | — | — | US | disclosed |