Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22297852 | 0.88 | AR (0.44) | ARMTNR1AESR1ESR2ADRA2A | |
| SCHEMBL27654170 | 0.84 | AR (0.52) | ARMTNR1AHTR2BPNMT | |
| SCHEMBL30738393 | 0.84 | AR (0.52) | ARMTNR1AHTR2BPNMT | |
| SCHEMBL14822782 | 0.78 | MTNR1A (0.36) | ARMTNR1AESR1ESR2FFAR4 | |
| SCHEMBL22298131 | 0.76 | AR (0.43) | ARMTNR1AESR1ESR2GAA | |
| SCHEMBL10841342 | 0.76 | AR (0.43) | ARMTNR1AESR1ESR2HTR2B | |
| SCHEMBL14767430 | 0.76 | AR (0.43) | ARMTNR1AESR1ESR2GAA | |
| SCHEMBL26613367 | 0.75 | ESR1 (0.52) | CHRNB2CHRNA4POLBAPEX1KARS1 | |
| SCHEMBL29746091 | 0.75 | ESR1 (0.52) | CHRNB2CHRNA4POLBAPEX1KARS1 | |
| SCHEMBL6754126 | 0.75 | AR (0.46) | ARMTNR1AHTR2B |
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-3689860-A1 | SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2020-08-05 | — | — | EP | disclosed |