Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CCR2 | P41597 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL28534482 | 1.00 | ALDH1A1 (0.45) | ALDH1A1KDM4EPOLBTDP1GAA | |
| SCHEMBL23631897 | 0.91 | KDM4E (0.46) | ALDH1A1KDM4EPOLBTDP1GAA | |
| SCHEMBL28537466 | 0.91 | KDM4E (0.46) | ALDH1A1KDM4EPOLBTDP1GAA | |
| SCHEMBL28533662 | 0.87 | CCR2 (0.42) | ALDH1A1KDM4EPOLBTDP1GAA | |
| SCHEMBL21616646 | 0.87 | SRD5A2 (0.43) | CCR2KCNH2FPR1 | |
| SCHEMBL23632290 | 0.87 | SRD5A2 (0.43) | CCR2KCNH2FPR1 | |
| SCHEMBL23631881 | 0.86 | CCR2 (0.41) | ALDH1A1KDM4EPOLBTDP1GAA | |
| SCHEMBL28529252 | 0.86 | CCR2 (0.41) | ALDH1A1KDM4EPOLBTDP1GAA | |
| SCHEMBL28533944 | 0.85 | KDM4E (0.41) | ALDH1A1KDM4EPOLBTDP1GAA | |
| SCHEMBL30474508 | 0.85 | KDM4E (0.41) | ALDH1A1KDM4EPOLBTDP1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113072542-B | ROR gamma t inhibitor and preparation method and application thereof | 广东东阳光药业股份有限公司 | 2024-04-05 | — | — | CN | disclosed |
| WO-2021139595-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 东莞市东阳光新药研发有限公司 | 2021-07-15 | — | — | WO | disclosed |
| CN-113072542-A | ROR gamma t inhibitor and preparation method and application thereof | 广东东阳光药业有限公司 | 2021-07-06 | — | — | CN | disclosed |