Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | UBE2M | P61081 | 1/20 | 0.35 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002669 | 0.84 | NOTUM (0.45) | MAPTLMNAALDH1A1HSD11B1RORC | |
| SCHEMBL20002969 | 0.84 | NOTUM (0.45) | MAPTLMNAALDH1A1HSD11B1RORC | |
| SCHEMBL20002964 | 0.84 | RORC (0.35) | EPHX2HDAC3HDAC1HDAC2RORC | |
| SCHEMBL20002280 | 0.82 | TACR1 (0.40) | HDAC3HDAC1HDAC2PKMHSD11B1 | |
| SCHEMBL20002958 | 0.82 | NOTUM (0.48) | MAPTEPHX2POLBLMNAALDH1A1 | |
| SCHEMBL20002957 | 0.82 | NOTUM (0.48) | MAPTEPHX2POLBLMNAALDH1A1 | |
| SCHEMBL20002167 | 0.82 | KDM1A (0.40) | EPHX2LMNAALDH1A1HTTPKM | |
| SCHEMBL20003029 | 0.81 | RORC (0.41) | RORC | |
| SCHEMBL20003049 | 0.80 | AKR1C3 (0.51) | EPHX2LMNAALDH1A1HTTPKM | |
| SCHEMBL20003037 | 0.79 | RORC (0.38) | MAPTHDAC3HDAC1HDAC2ALDH1A1 |
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 |