Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10567805 | 0.86 | SLC10A6 (0.43) | CYP19A1TDP1ALDH1A1CA12THRB | |
| SCHEMBL10567743 | 0.85 | CYP19A1 (0.42) | CYP19A1TDP1ALDH1A1CA12THRB | |
| SCHEMBL10568780 | 0.72 | NPY5R (0.49) | CYP19A1TDP1ALDH1A1CA12THRB | |
| SCHEMBL10656084 | 0.72 | L3MBTL1 (0.51) | TDP1THRBL3MBTL1CA1CA2 | |
| SCHEMBL1548112 | 0.72 | ALDH1A1 (0.60) | CYP19A1TDP1ALDH1A1CA12THRB | |
| SCHEMBL10568728 | 0.71 | CYP19A1 (0.40) | CYP19A1ALDH1A1CA12THRBL3MBTL1 | |
| SCHEMBL6413831 | 0.71 | CA1 (0.54) | CYP19A1TDP1ALDH1A1CA12THRB | |
| SCHEMBL10568735 | 0.70 | ALDH1A1 (0.43) | CYP19A1ALDH1A1CA1CA2MMP1 | |
| SCHEMBL3104112 | 0.70 | CA1 (0.52) | CYP19A1TDP1ALDH1A1THRBL3MBTL1 | |
| SCHEMBL10652008 | 0.70 | SLC10A6 (0.46) | TDP1ALDH1A1THRBL3MBTL1CA1 |
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-4694020-A | Derivatives of 2-(substituted sulfamyl)-6-nitrobenzoic acids and pharmaceutical compositions | MERCK & CO., INC. (US) | 1987-09-15 | — | — | US | disclosed |