Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
| ▸ | TACR3 | P29371 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 8/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002167 | 0.90 | KDM1A (0.40) | RORCAKR1C3PKM | |
| SCHEMBL20002664 | 0.87 | TSHR (0.41) | AKR1C3PKMHSD11B1 | |
| SCHEMBL20002286 | 0.87 | TACR1 (0.45) | TACR1TACR3RORCHDAC3HDAC1 | |
| SCHEMBL20002669 | 0.85 | NOTUM (0.45) | RORCAKR1C3HSD11B1 | |
| SCHEMBL20002969 | 0.85 | NOTUM (0.45) | RORCAKR1C3HSD11B1 | |
| SCHEMBL20003049 | 0.85 | AKR1C3 (0.51) | AKR1C3PKMHSD11B1 | |
| SCHEMBL20002429 | 0.85 | RORC (0.41) | TACR1RORCHSD11B1 | |
| SCHEMBL20003029 | 0.85 | RORC (0.41) | RORC | |
| SCHEMBL20002631 | 0.84 | HSD11B1 (0.33) | RORCAKR1C3PKMHSD11B1 | |
| SCHEMBL20149113 | 0.84 | RORC (0.39) | TACR1TACR3RORCDPP4DPP7 |
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 |