Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | PSIP1 | O75475 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | RORC | P51449 | 8/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28072894 | 0.98 | CA12 (0.57) | CA12CA2CA1PSIP1GAA | |
| SCHEMBL27510869 | 0.85 | CA2 (0.53) | CA12CA2CA1GAACA9 | |
| Hydrochloric Acid SCHEMBL28895589 | 0.84 | GAA (0.52) | CA12CA2CA1PSIP1GAA | |
| SCHEMBL10455034 | 0.83 | PSIP1 (0.74) | CA2PSIP1GAAALDH1A1CYP3A4 | |
| SCHEMBL7295501 | 0.81 | CA2 (0.53) | CA12CA2CA1GAACA9 | |
| SCHEMBL10294706 | 0.80 | PSIP1 (0.52) | CA12CA2CA1PSIP1GAA | |
| SCHEMBL5339648 | 0.80 | CA1 (0.59) | CA12CA2CA1PSIP1GAA | |
| SCHEMBL7295504 | 0.79 | CA2 (0.58) | CA12CA2CA1GAACA9 | |
| SCHEMBL10294182 | 0.78 | PSIP1 (0.50) | CA12CA2CA1PSIP1GAA | |
| SCHEMBL28609628 | 0.78 | CA2 (0.55) | CA12CA2CA1CA9ALDH1A1 |
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 14 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-108689942-B | Nitrogen-containing bicyclic compound, and preparation method and application thereof | 广东东阳光药业有限公司 | 2023-06-09 | — | — | CN | disclosed |
| CN-110337440-B | Compounds useful for inhibition of ROR-gamma-t | 伊莱利利公司 | 2021-08-03 | — | — | CN | disclosed |
| WO-2021139599-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 |
| 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-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 |
| WO-2020011147-A1 | RORγ ANTAGONIST AND APPLICATION THEREOF IN MEDICINE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2020-01-16 | — | — | WO | disclosed |
| CN-110337440-A | It can be used for inhibiting the compound of ROR- γ-t | 伊莱利利公司 | 2019-10-15 | — | — | CN | disclosed |
| CN-109206360-A | Carbazole amide derivatives or its salt and its preparation method and application | 复旦大学 | 2019-01-15 | — | — | CN | disclosed |
| CN-109206346-A | Tertiary amine analog derivative or its salt and its preparation method and application | 复旦大学 | 2019-01-15 | — | — | CN | disclosed |
| CN-108689942-A | Nitrogenous dicyclic compound and its preparation method and application | 广东东阳光药业有限公司 | 2018-10-23 | — | — | CN | disclosed |
| WO-2017175068-A1 | THIAZOLOPYRIDINE DERIVATIVES AS GPR119 AGONISTS | MANKIND PHARMA LTD. (IN) | 2017-10-12 | — | — | WO | disclosed |
| CN-105829285-A | Quinazolinone and isoquinolinone derivatives | 中外制药株式会社 | 2016-08-03 | — | — | CN | disclosed |
| WO-1997020822-A1 | QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST | NOVARTIS AG (CH) | 1997-06-12 | — | — | WO | disclosed |