Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 7/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | F2R | P25116 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL20002631 | 0.88 | HSD11B1 (0.33) | RAB9AAKR1C3PKMNPC1ATM | |
| SCHEMBL20002280 | 0.87 | TACR1 (0.40) | AKR1C3PKMHSD11B1 | |
| SCHEMBL20002167 | 0.87 | KDM1A (0.40) | RAB9AAKR1C3PKMNPC1LMNA | |
| SCHEMBL20002854 | 0.86 | RORC (0.42) | TSHRPKMHSD11B1LMNAKMT2A | |
| SCHEMBL20002969 | 0.84 | NOTUM (0.45) | RAB9AAKR1C3HSD11B1LMNAKMT2A | |
| SCHEMBL20002669 | 0.84 | NOTUM (0.45) | RAB9AAKR1C3HSD11B1LMNAKMT2A | |
| SCHEMBL20003049 | 0.84 | AKR1C3 (0.51) | AKR1C3PKMNPC1HSD11B1LMNA | |
| SCHEMBL20002470 | 0.82 | PDE4B (0.31) | TSHRRAB9APKMNPC1ATM | |
| SCHEMBL20002958 | 0.82 | NOTUM (0.48) | AKR1C3HSD11B1LMNAKMT2ASMN1; SMN2 | |
| SCHEMBL20002957 | 0.82 | NOTUM (0.48) | AKR1C3HSD11B1LMNAKMT2ASMN1; SMN2 |
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 |