Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.38 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20003130 | 0.80 | ALDH1A1 (0.49) | RORCALDH1A1SMN1; SMN2PKMMAPT | |
| SCHEMBL20002747 | 0.79 | MAPT (0.44) | RORCALDH1A1SMN1; SMN2MAPTCYP19A1 | |
| SCHEMBL20002762 | 0.77 | ALDH1A1 (0.44) | RORCALDH1A1SMN1; SMN2PKMMAPT | |
| SCHEMBL20003196 | 0.71 | HSD11B1 (0.48) | ALDH1A1SMN1; SMN2TP53TSHRMAPK1 | |
| SCHEMBL20002719 | 0.71 | HSD11B1 (0.48) | ALDH1A1SMN1; SMN2TP53TSHRMAPK1 | |
| SCHEMBL20003048 | 0.70 | PDK1 (0.41) | RORCALDH1A1SMN1; SMN2MAPTCYP19A1 | |
| SCHEMBL20002992 | 0.70 | PDK1 (0.41) | RORCALDH1A1SMN1; SMN2MAPTCYP19A1 | |
| SCHEMBL20002255 | 0.69 | CCR5 (0.49) | RORCCCR5KMT2A | |
| SCHEMBL19702601 | 0.69 | MAPT (0.55) | ALDH1A1SMN1; SMN2MAPTHTTKMT2A | |
| SCHEMBL20002879 | 0.69 | NPC1 (0.44) | ALDH1A1SMN1; SMN2GRIN2BGRIN1HPGD |
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 |