Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL8321897 | 0.91 | MTNR1A (0.40) | HDAC8MTNR1AMTNR1BL3MBTL1APP | |
| SCHEMBL8197532 | 0.86 | MRGPRX4 (0.38) | — | |
| SCHEMBL7953762 | 0.79 | L3MBTL1 (0.38) | L3MBTL1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8180809 | 0.78 | MRGPRX4 (0.36) | — | |
| SCHEMBL6205852 | 0.77 | CYP2C9 (0.46) | HDAC8MTNR1AMTNR1BLRRK2KDM4E | |
| SCHEMBL8132061 | 0.76 | MRGPRX4 (0.40) | L3MBTL1NPC1GAARAB9ASMN1; SMN2 | |
| SCHEMBL7952320 | 0.75 | L3MBTL1 (0.42) | L3MBTL1APPKDM4EPOLBNPSR1 | |
| SCHEMBL7959955 | 0.73 | L3MBTL1 (0.35) | HDAC8MTNR1AMTNR1BL3MBTL1APP | |
| SCHEMBL6324123 | 0.73 | L3MBTL1 (0.40) | L3MBTL1APPKDM4ETLR9NPSR1 | |
| SCHEMBL13311249 | 0.72 | L3MBTL1 (0.37) | L3MBTL1SMN1; SMN2KEAP1NFE2L2TLR9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5985908-A | MCBI (7-METHOXY-1,2,9A-TETRA-HYDROCYCLOPROPA(C)BENZ(E)INDOL-4-ONE) IS EMPLOYABLE AS A DNA ALKYLATING AGENT AND CAN BE INCORPORATED INTO ANALOGS OF CC-1065 AND THE DUOCARMYCINS FOR | THE SCRIPPS RESEARCH INSTITUTE (US) | 1999-11-16 | — | — | US | disclosed |