Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6718662 | 0.86 | ALDH1A1 (0.42) | PDPK1ESR1ERN1ALDH1A1MAPT | |
| SCHEMBL11867593 | 0.85 | HSD17B10 (0.35) | PDPK1ESR1HSD17B10CCNA2CDK2 | |
| SCHEMBL23326914 | 0.82 | ESR1 (0.38) | PDPK1ESR1ALDH1A1MEN1KMT2A | |
| SCHEMBL3381618 | 0.81 | NFE2L2 (0.34) | PDPK1ERN1 | |
| SCHEMBL31526201 | 0.78 | ALDH1A1 (0.42) | ALDH1A1MAPTMEN1KMT2ATSHR | |
| SCHEMBL4222529 | 0.76 | MAP3K7 (0.42) | — | |
| SCHEMBL29954802 | 0.73 | ERN1 (0.37) | ERN1ALDH1A1CYP2A6MEN1KMT2A | |
| SCHEMBL441518 | 0.73 | ERN1 (0.37) | ERN1ALDH1A1CYP2A6MEN1KMT2A | |
| SCHEMBL746493 | 0.73 | ERN1 (0.44) | ERN1ALDH1A1PRKDCTSHRKDM4E | |
| SCHEMBL6342720 | 0.71 | PKM (0.34) | ERN1 |
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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113582971-B | Small molecule immunosuppressant, preparation method and application thereof | 北京康辰药业股份有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-114276328-B | Compound as small molecule immunosuppressant, preparation method and application thereof | 北京康辰药业股份有限公司 | 2023-09-01 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| CN-114276328-A | Compound as small molecule immunosuppressant, preparation method and application thereof | 北京康辰药业股份有限公司 | 2022-04-05 | — | — | CN | disclosed |
| CN-105924433-B | Substituted aminopyrimidine compounds and use method and application thereof | 广东东阳光药业有限公司 | 2020-12-22 | — | — | CN | disclosed |
| CN-104418849-B | Substituted aminopyrimidine compounds and use method and application thereof | 广东东阳光药业有限公司 | 2020-04-21 | — | — | CN | disclosed |
| EP-3046563-B1 | SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AS PI3-KINASE INHIBITORS | CALITOR SCIENCES LLC (US) | 2019-05-29 | — | — | EP | disclosed |
| US-9670194-B2 | Substituted aminopyrimidine compounds and methods of use | CALITOR SCIENCES, LLC (US) | 2017-06-06 | — | — | US | disclosed |
| US-9670194-B2 | Substituted aminopyrimidine compounds and methods of use | CALITOR SCIENCES, LLC (US) | 2017-06-06 | — | — | US | disclosed |
| US-9670194-B2 | Substituted aminopyrimidine compounds and methods of use | CALITOR SCIENCES, LLC (US) | 2017-06-06 | — | — | US | disclosed |
| US-3971791-A | VASODILATION, HYPOTENSIVE | BAYER AKTIENGESELLSCHAFT (DT) | 1976-07-27 | — | — | US | disclosed |
| US-3966948-A | Spasmolytic, vaso-dilating and anti-hypertensive compositions and methods | BAYER AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | disclosed |
| US-3959474-A | 2,6-Diamino-1,4-dihydropyridine-3,5-dicarboxylic acid esters used as coronary vessel dilators and anti-hypertensive agents | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-25 | — | — | US | disclosed |
| US-3957998-A | ADMINISTERING | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-18 | — | — | US | disclosed |
| US-3951993-A | HYPOTENSIVE, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-20 | — | — | US | disclosed |
| US-3950336-A | HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-13 | — | — | US | disclosed |
| US-3946026-A | HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-03-23 | — | — | US | disclosed |
| US-3939171-A | HYPOTENSIVE, VASODILATION | BAYER AKTIENGESELLSCHAFT (DT) | 1976-02-17 | — | — | US | disclosed |
| US-3935223-A | 2-Amino-1,4-dihydropyridine derivatives | BAYER AKTIENGESELLSCHAFT (DT) | 1976-01-27 | — | — | US | disclosed |
| US-3933834-A | CARDIOVASCULAR AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-01-20 | — | — | US | disclosed |