Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28542969 | 0.92 | KDM4E (0.38) | KDM4EALDH1A1POLBTDP1GAA | |
| SCHEMBL28532386 | 0.92 | KDM4E (0.40) | KDM4EALDH1A1POLBTDP1GAA | |
| SCHEMBL28537446 | 0.90 | KDM4E (0.41) | KDM4EALDH1A1POLBTDP1GAA | |
| SCHEMBL28526816 | 0.87 | KDM4E (0.42) | KDM4EALDH1A1POLBTDP1GAA | |
| SCHEMBL28526861 | 0.87 | ACACB (0.40) | KDM4EALDH1A1POLBTDP1GAA | |
| SCHEMBL28592571 | 0.86 | ACACB (0.41) | KDM4EALDH1A1POLBTDP1GAA | |
| SCHEMBL30065111 | 0.86 | ACACB (0.41) | KDM4EALDH1A1POLBTDP1GAA | |
| SCHEMBL28525878 | 0.86 | KDM4E (0.41) | KDM4EALDH1A1POLBTDP1GAA | |
| SCHEMBL28529279 | 0.86 | KDM4E (0.39) | KDM4EALDH1A1POLBTDP1GAA | |
| SCHEMBL28529263 | 0.82 | RBP4 (0.38) | ACACBLMNAHCRTR1HCRTR2HRH3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112513021-B | ROR gamma antagonist and application thereof in medicines | 广东东阳光药业有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-112513021-A | ROR gamma antagonist and application thereof in medicine | 广东东阳光药业有限公司 | 2021-03-16 | — | — | CN | disclosed |