Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL20002023 | 0.82 | GAA (0.40) | ACHEHSD11B1TDP1GAAMAPT | |
| SCHEMBL19477798 | 0.81 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL20003172 | 0.79 | CA4 (0.40) | PDK1PDK2PDK3PDK4MAPK1 | |
| SCHEMBL514500 | 0.78 | CA1 (0.58) | CA1CA2CA7CA9CA12 | |
| SCHEMBL20714605 | 0.77 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL9324454 | 0.76 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL5285766 | 0.75 | CA1 (0.61) | CA1CA2CA7CA9CA12 | |
| SCHEMBL1246270 | 0.73 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL9171548 | 0.73 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2084265 | 0.73 | KIF11 (0.53) | CA1CA2CA7CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |