Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | AGER | Q15109 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28279311 | 0.86 | RORC (0.44) | RORCLMNAHTTALDH1A1KMT2A | |
| SCHEMBL28279280 | 0.85 | RORC (0.40) | RORCLMNAHTTPOLBALDH1A1 | |
| SCHEMBL10361813 | 0.76 | MLYCD (0.46) | HTTPOLBALDH1A1CA2CA1 | |
| SCHEMBL20002200 | 0.75 | KMT2A (0.51) | RORCLMNAHTTPOLBALDH1A1 | |
| SCHEMBL16886403 | 0.70 | HSD11B1 (0.47) | RORCALDH1A1 | |
| SCHEMBL9399048 | 0.69 | HPGD (0.44) | LMNAALDH1A1CA2CA1KMT2A | |
| SCHEMBL28554198 | 0.69 | LMNA (0.42) | LMNAHTTPOLBALDH1A1CA2 | |
| SCHEMBL16875545 | 0.68 | RORC (0.46) | RORC | |
| SCHEMBL16875551 | 0.68 | RORC (0.45) | RORC | |
| SCHEMBL7647444 | 0.67 | ESR1 (0.35) | MLYCD |
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 |
|---|---|---|---|---|---|---|---|
| CN-106061971-B | Pyrrolidinyl sulfone derivatives and their use as ROR gamma modulators | 百时美施贵宝公司 | 2019-03-12 | — | — | CN | disclosed |