Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CA7 | P43166 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2145329 | 0.82 | TSHR (0.57) | TSHRALDH1A1HSD17B10CYP3A4KDM4E | |
| SCHEMBL8464477 | 0.81 | KMT2A (0.49) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL1844052 | 0.79 | TSHR (0.57) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL27581813 | 0.78 | TSHR (0.47) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL162212 | 0.77 | TSHR (0.55) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL5078857 | 0.77 | TSHR (0.55) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL8565732 | 0.77 | CA12 (0.36) | CA12CA1CA2CA9CA14 | |
| SCHEMBL6643211 | 0.76 | ALDH1A1 (0.53) | TSHRALDH1A1HSD17B10GAACYP3A4 | |
| SCHEMBL28358271 | 0.76 | TSHR (0.53) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL28618971 | 0.76 | TSHR (0.53) | TSHRCA12CA1CA2CA7 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024153155-A1 | DOUBLE-HETEROCYCLIC WRN INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 成都微芯药业有限公司 | 2024-07-25 | — | — | WO | disclosed |
| WO-2023165262-A1 | THIENO-NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海科技大学 | 2023-09-07 | — | — | WO | disclosed |
| WO-2023165262-A1 | THIENO-NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海科技大学 | 2023-09-07 | — | — | WO | disclosed |
| CN-116693545-A | Thieno nitrogen-containing heterocyclic compound, pharmaceutical composition containing same, preparation method and application thereof | 上海科技大学 | 2023-09-05 | — | — | CN | disclosed |
| CN-111606928-A | Azacyclodiketone compound and preparation method thereof | 维清生物科技(上海)有限公司 | 2020-09-01 | — | — | CN | disclosed |
| CN-111217810-A | Azacyclodiketone compound and preparation method thereof | 维清生物科技(上海)有限公司 | 2020-06-02 | — | — | CN | disclosed |
| US-5840917-A | ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-11-24 | — | — | US | disclosed |
| WO-1998042347-A1 | PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-01 | — | — | WO | disclosed |
| EP-0852498-A1 | PHOSPHORYLAMIDES, THEIR PREPARATION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1998-07-15 | — | — | EP | disclosed |
| WO-1997011705-A1 | PHOSPHORYLAMIDES, THEIR PREPARATION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-04-03 | — | — | WO | disclosed |