Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | AGER | Q15109 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17113633 | 1.00 | AKR1C1 (0.42) | AKR1C1NPSR1NPC1RAB9ACA12 | |
| SCHEMBL1964253 | 0.98 | AKR1C1 (0.43) | AKR1C1NPSR1NPC1RAB9ACA12 | |
| SCHEMBL15688938 | 0.95 | NPC1 (0.41) | AKR1C1NPSR1NPC1RAB9ACA12 | |
| SCHEMBL14830900 | 0.91 | NPC1 (0.43) | NPSR1NPC1RAB9ACA12CA9 | |
| SCHEMBL5177324 | 0.83 | OPRM1 (0.43) | NPC1RAB9AMEN1KMT2A | |
| SCHEMBL185865 | 0.79 | NPC1 (0.40) | NPSR1NPC1RAB9ACA12CA9 | |
| SCHEMBL17500050 | 0.78 | NPC1 (0.39) | NPSR1NPC1RAB9ACA12CA9 | |
| SCHEMBL14830423 | 0.77 | NPC1 (0.49) | NPSR1NPC1RAB9ACA12CA9 | |
| SCHEMBL5507962 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CA2 | |
| SCHEMBL29164055 | 0.76 | SMN1; SMN2 (0.52) | NPC1RAB9AMEN1KMT2ALMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2408756-A1 | ALPHA-(N-BENZENESULFONAMIDO)CYCLOALKYL DERIVATIVES | Bristol-Myers Squibb Company (US) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010108067-A1 | ALPHA-(N-BENZENESULFONAMIDO)CYCLOALKYL DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-09-23 | — | — | WO | disclosed |