Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | SUCNR1 | Q9BXA5 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.41 |
| ▸ | SELP | P16109 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4048733 | 0.94 | CA1 (0.52) | CA1CA2SUCNR1HDAC3HDAC1 | |
| SCHEMBL16747675 | 0.82 | GAA (0.61) | CA1CA2KMT2AGAATDP1 | |
| SCHEMBL6831601 | 0.81 | SOAT1 (0.44) | CA1CA2KMT2AGAAHDAC3 | |
| SCHEMBL4051518 | 0.80 | KCNA5 (0.50) | KMT2ASUCNR1MALT1 | |
| SCHEMBL4060683 | 0.78 | KCNA5 (0.50) | SUCNR1HDAC1HDAC10HDAC6MALT1 | |
| SCHEMBL8692644 | 0.77 | POLB (0.55) | CA1CA2KMT2AGAATDP1 | |
| SCHEMBL13233342 | 0.76 | CA1 (0.49) | CA1CA2KMT2AGAAHDAC3 | |
| SCHEMBL5583416 | 0.76 | ALDH1A1 (0.56) | CA1CA2KMT2AHDAC3HDAC1 | |
| SCHEMBL18535719 | 0.75 | BRD9 (0.50) | KMT2AALDH1A1NPSR1HTTL3MBTL1 | |
| SCHEMBL9524622 | 0.75 | CYP1A2 (0.59) | CA1CA2KMT2AALDH1A1HTT |
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-7507753-B2 | melanocortin receptor agonist, antagonist; preventing or treating inflammatory diseases, AIDS, obesity, bulimia, anorexia or sexual dysfunction; N-(2-aminoethyl)-3'-[1-{N-(1-benzylpiperidin-4-yl)-N-(2-naphthylacetyl)aminoethyl][1,1'-biphenyl)-2-carboxamide dihydrochloride | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 2009-03-24 | — | — | US | disclosed |