Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PHGDH | O43175 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | 0.85 | NOTUM (0.45) | AKR1C3SMN1; SMN2LMNAHSD11B1KMT2A | |
| SCHEMBL20002280 | 0.85 | TACR1 (0.40) | AKR1C3PKMHSD11B1 | |
| SCHEMBL20002167 | 0.85 | KDM1A (0.40) | AKR1C3PKMSMN1; SMN2LMNAHTT | |
| SCHEMBL20002969 | 0.85 | NOTUM (0.45) | AKR1C3SMN1; SMN2LMNAHSD11B1KMT2A | |
| SCHEMBL20002664 | 0.84 | TSHR (0.41) | AKR1C3PKMSMN1; SMN2LMNAHSD11B1 | |
| SCHEMBL20002631 | 0.84 | HSD11B1 (0.33) | AKR1C3PKMSMN1; SMN2LMNAHSD11B1 | |
| SCHEMBL20002400 | 0.84 | TACR3 (0.42) | SMN1; SMN2HTTHSD11B1MEN1KMT2A | |
| SCHEMBL20002957 | 0.83 | NOTUM (0.48) | AKR1C3SMN1; SMN2LMNAHSD11B1KMT2A | |
| SCHEMBL20002958 | 0.83 | NOTUM (0.48) | AKR1C3SMN1; SMN2LMNAHSD11B1KMT2A | |
| SCHEMBL20003029 | 0.82 | RORC (0.41) | — |
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 |