Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | KRAS | P01116 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16638710 | 0.79 | KMT2A (0.36) | KMT2AARHTR1ASLC6A2SLC6A4 | |
| SCHEMBL16886233 | 0.79 | SLC6A2 (0.33) | KMT2AARRORCPDK1PDK2 | |
| SCHEMBL8727533 | 0.77 | EPAS1 (0.34) | KMT2AARRORCPDK2HTR1A | |
| SCHEMBL19657135 | 0.72 | TDP1 (0.37) | KMT2AARHTR1ASLC6A2SLC6A4 | |
| SCHEMBL475141 | 0.71 | ALDH1A1 (0.46) | KMT2ASLC6A2SLC6A4KRASNFE2L2 | |
| SCHEMBL28696130 | 0.70 | CES2 (0.33) | KMT2AARRORCPDK2EPAS1 | |
| SCHEMBL18799682 | 0.69 | RORC (0.40) | RORC | |
| SCHEMBL7994922 | 0.69 | KDM4E (0.49) | KMT2ACYP3A4MAPTCYP2C9CYP2C19 | |
| SCHEMBL20003172 | 0.68 | CA4 (0.40) | KMT2ARORCPDK1PDK2PDK3 | |
| SCHEMBL10200330 | 0.68 | KMT2A (0.40) | KMT2AKRASMAPT |
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 |