Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC10A6 | Q3KNW5 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 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 | |
|---|---|---|---|---|
| SCHEMBL10741152 | 0.86 | CYP19A1 (0.43) | CYP19A1TDP1ALDH1A1CA12THRB | |
| SCHEMBL10567743 | 0.85 | CYP19A1 (0.42) | CYP19A1TDP1ALDH1A1CA12THRB | |
| SCHEMBL10652008 | 0.84 | SLC10A6 (0.46) | SLC10A6TDP1POLBALDH1A1THRB | |
| SCHEMBL10565319 | 0.83 | ALDH1A1 (0.46) | SLC10A6CYP19A1TDP1POLBALDH1A1 | |
| SCHEMBL10571766 | 0.81 | NPY5R (0.46) | SLC10A6CYP19A1TDP1POLBALDH1A1 | |
| SCHEMBL10873626 | 0.81 | SLC10A6 (0.43) | SLC10A6CYP19A1TDP1POLBALDH1A1 | |
| SCHEMBL10571522 | 0.81 | ALDH1A1 (0.47) | SLC10A6CYP19A1TDP1POLBALDH1A1 | |
| Hydrochloric Acid SCHEMBL10568319 | 0.80 | ALDH1A1 (0.46) | SLC10A6CYP19A1TDP1POLBALDH1A1 | |
| SCHEMBL4810290 | 0.79 | SLC10A6 (0.47) | SLC10A6CYP19A1TDP1POLBALDH1A1 | |
| SCHEMBL4818765 | 0.77 | CA1 (0.51) | SLC10A6TDP1POLBALDH1A1CA12 |
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-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-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 | 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 |
| US-4654369-A | Esters of 2-(substituted sulfamyl)-6-nitro-benzoic acid and pharmaceutical compositions | MERCK & CO., INC. (US) | 1987-03-31 | — | — | US | disclosed |
| 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 | disclosed |