Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | F13A1 | P00488 | 1/20 | 0.41 |
| ▸ | TGM1 | P22735 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10572547 | 0.93 | NPY5R (0.45) | ALDH1A1CA12KMT2AMEN1CYP19A1 | |
| SCHEMBL10652015 | 0.89 | ALDH1A1 (0.47) | ALDH1A1CA12KMT2AMEN1CYP19A1 | |
| Hydrochloric Acid SCHEMBL10570080 | 0.88 | ALDH1A1 (0.47) | ALDH1A1CA12KMT2AMEN1CYP19A1 | |
| SCHEMBL10656087 | 0.85 | KMT2A (0.50) | ALDH1A1CA12KMT2AMEN1CYP19A1 | |
| SCHEMBL10565319 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CA12KMT2AMEN1CYP19A1 | |
| SCHEMBL10656976 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CA12KMT2AMEN1CYP19A1 | |
| SCHEMBL10567743 | 0.84 | CYP19A1 (0.42) | ALDH1A1CA12KMT2ACYP19A1THRB | |
| SCHEMBL10568780 | 0.83 | NPY5R (0.49) | ALDH1A1CA12KMT2AMEN1CYP19A1 | |
| SCHEMBL9620477 | 0.81 | KMT2A (0.53) | ALDH1A1KMT2AMEN1LMNA | |
| SCHEMBL9811304 | 0.81 | KMT2A (0.43) | KMT2AMEN1CYP19A1NPY5RLMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0197386-B1 | 2-(SUBSTITUTED SULFAMYL) DERIVATIVES OF 6-NITROBENZOIC ACID, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1988-11-02 | — | — | EP | claimed |
| EP-0197386-A1 | 2-(Substituted sulfamyl) derivatives of 6-nitrobenzoic acid, process for their preparation and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1986-10-15 | — | — | EP | claimed |
| US-4847294-A | Derivatives of 2-(substituted sulfamyl)-6-nitrobenzoic acids, useful as adjuncts to radiation therapy | MERCK & CO., INC. (US) | 1989-07-11 | — | — | US | disclosed |
| EP-0265806-A1 | 2-(Substituted sulfamyl)-6-nitrobenzoic acids, amides and esters thereof useful as adjuncts to radiation therapy | MERCK & CO. INC. (US) | 1988-05-04 | — | — | EP | disclosed |
| US-4694020-A | Derivatives of 2-(substituted sulfamyl)-6-nitrobenzoic acids and pharmaceutical compositions | MERCK & CO., INC. (US) | 1987-09-15 | — | — | US | disclosed |