Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 8/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.56 |
| ▸ | HTR2C | P28335 | 5/20 | 0.56 |
| ▸ | ACHE | P22303 | 4/20 | 0.54 |
| ▸ | BACE1 | P56817 | 4/20 | 0.54 |
| ▸ | BCHE | P06276 | 3/20 | 0.54 |
| ▸ | DRD2 | P14416 | 3/20 | 0.52 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.48 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL25010508 | 1.00 | HTR2A (0.68) | HTR2AKCNH2HTR2CACHEBACE1 | |
| SCHEMBL10800201 | 0.90 | HTR2A (0.83) | HTR2AKCNH2HTR2CACHEBACE1 | |
| SCHEMBL10798967 | 0.88 | HTR2A (0.70) | HTR2AKCNH2HTR2CACHEBACE1 | |
| SCHEMBL4283526 | 0.87 | HTR2A (0.68) | HTR2AKCNH2HTR2CACHEBACE1 | |
| Maleic Acid SCHEMBL10797845 | 0.82 | HTR2A (0.69) | HTR2AKCNH2HTR2CDRD2SIGMAR1 | |
| Fumaric Acid SCHEMBL10797853 | 0.82 | HTR2A (0.69) | HTR2AKCNH2HTR2CDRD2SIGMAR1 | |
| Fumaric Acid SCHEMBL10795308 | 0.81 | HTR2A (0.60) | HTR2AKCNH2HTR2CACHEBACE1 | |
| Maleic Acid SCHEMBL10795299 | 0.81 | HTR2A (0.60) | HTR2AKCNH2HTR2CACHEBACE1 | |
| SCHEMBL4924760 | 0.77 | HTR2A (0.61) | HTR2AKCNH2HTR2CACHEBACE1 | |
| SCHEMBL1682268 | 0.77 | USP2 (0.55) | HTR2AACHEBACE1BCHEDRD2 |
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 |