Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.31 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002206 | 0.98 | CYP1A2 (0.32) | CYP1A2MAOAMAOB | |
| SCHEMBL20002203 | 0.94 | — | — | |
| SCHEMBL20002205 | 0.89 | LIPA (0.32) | — | |
| SCHEMBL16254216 | 0.82 | CYP1A2 (0.39) | CYP1A2PDK1PDK2PDK3PDK4 | |
| SCHEMBL16015894 | 0.80 | CYP1A2 (0.34) | CYP1A2CTSLCTSBCTSKLMNA | |
| SCHEMBL16886242 | 0.80 | CYP1A2 (0.33) | CYP1A2CTSLCTSBCTSKLMNA | |
| SCHEMBL20002818 | 0.80 | LIPA (0.32) | — | |
| SCHEMBL20002224 | 0.80 | RORC (0.34) | — | |
| SCHEMBL20003106 | 0.79 | — | — | |
| SCHEMBL7739306 | 0.78 | ALDH1A1 (0.44) | CYP1A2CTSLCTSBCTSKLMNA |
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 |