Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CCR5 | P51681 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL9811373 | 0.88 | KDM4E (0.40) | KDM4ECYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL9811463 | 0.87 | SIGMAR1 (0.40) | KDM4ECYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL10734675 | 0.84 | SIGMAR1 (0.49) | KDM4EMEN1KMT2ASIGMAR1ALDH1A1 | |
| SCHEMBL9811412 | 0.83 | KMT2A (0.38) | CYP2D6MEN1KMT2ASIGMAR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10570161 | 0.83 | SIGMAR1 (0.48) | KDM4EMEN1KMT2ASIGMAR1ALDH1A1 | |
| SCHEMBL10566786 | 0.77 | KMT2A (0.42) | KDM4EMEN1KMT2AALDH1A1TDP1 | |
| SCHEMBL9811297 | 0.75 | KMT2A (0.47) | KDM4EMEN1KMT2AALDH1A1TDP1 | |
| SCHEMBL9811320 | 0.74 | KMT2A (0.41) | KDM4ECYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL10572923 | 0.73 | KMT2A (0.45) | KDM4EMEN1KMT2AALDH1A1TDP1 | |
| Oxalic Acid SCHEMBL10566788 | 0.73 | KMT2A (0.44) | KDM4EMEN1KMT2AALDH1A1TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0223124-B1 | SUBSTITUTED AMINOSULFONYL 6-NITROBENZOIC-ESTERS OR AMIDES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |
| US-4731369-A | Amides and esters of 2-(N-(hydroxypiperidinoalkyl) and (hydroxypyrrolidinoalkyl)-aminosulfonyl)-6-nitrobenzoic acids useful as adjuncts to radiation therapy | MERCK & CO. INC. (US) | 1988-03-15 | — | — | US | disclosed |
| EP-0223124-A1 | Substituted aminosulfonyl 6-nitrobenzoic-esters or amides, processes for their preparation and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1987-05-27 | — | — | EP | disclosed |