Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 11/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 11/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 11/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 11/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL2944299 | 0.79 | MEN1 (0.60) | KMT2AKDM4E | |
| SCHEMBL3933543 | 0.68 | CA1 (0.59) | KMT2ACA1CA2CA9PDK1 | |
| SCHEMBL1020216 | 0.65 | CA1 (0.74) | KMT2ACA1CA2CA9PDK1 | |
| SCHEMBL15095560 | 0.65 | CA1 (0.74) | KMT2ACA1CA2CA9PDK1 | |
| SCHEMBL149505 | 0.65 | CA1 (0.74) | KMT2ACA1CA2CA9PDK1 | |
| SCHEMBL3936913 | 0.65 | CA1 (0.54) | KMT2ACA1CA2CA9PDK1 | |
| SCHEMBL3223297 | 0.64 | CA1 (1.00) | CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL27729129 | 0.64 | CA1 (0.72) | KMT2ACA1CA2CA9PDK1 | |
| SCHEMBL7591363 | 0.63 | CA1 (0.66) | KMT2ACA1CA2CA9ALDH1A1 | |
| SCHEMBL3063809 | 0.63 | CA1 (0.63) | KMT2ACA1CA2CA9ALDH1A1 |
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-7754755-B2 | e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-13 | — | — | US | disclosed |