Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 6/20 | 0.44 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002819 | 1.00 | RORC (0.44) | RORCFKBP1AMMP2MMP13LMNA | |
| SCHEMBL20002166 | 0.88 | RORC (0.40) | RORCHSD11B1ATMSMN1; SMN2ALDH1A1 | |
| SCHEMBL20002445 | 0.86 | RORC (0.41) | RORCMMP2MMP13PKMHSD11B1 | |
| SCHEMBL20002566 | 0.81 | RORC (0.46) | RORCMMP2MMP13HSD11B1THRB | |
| SCHEMBL20003052 | 0.80 | HSD11B1 (0.38) | RORCHSD11B1KMT2AATMSMN1; SMN2 | |
| SCHEMBL20003049 | 0.79 | AKR1C3 (0.51) | FKBP1ALMNAPKMHSD11B1KMT2A | |
| SCHEMBL20002400 | 0.78 | TACR3 (0.42) | RORCMMP2MMP13HSD11B1KMT2A | |
| SCHEMBL20003044 | 0.77 | RORC (0.40) | RORCATMSMN1; SMN2ALDH1A1GAA | |
| SCHEMBL20002622 | 0.76 | RORC (0.49) | RORCLMNAHSD11B1KMT2ASMN1; SMN2 | |
| SCHEMBL20002171 | 0.75 | KMT2A (0.38) | RORCLMNAHSD11B1KMT2AATM |
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 |