Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4079901 | 0.98 | EPHX1 (0.51) | EPHX1GAASMN1; SMN2CACNA1BBTK | |
| SCHEMBL27791244 | 0.98 | EPHX1 (0.51) | EPHX1GAASMN1; SMN2CACNA1BBTK | |
| SCHEMBL27813335 | 0.96 | BTK (0.45) | EPHX1GAASMN1; SMN2CACNA1BBTK | |
| SCHEMBL21197505 | 0.92 | NFKB1 (0.41) | EPHX1GAACACNA1BBTKNFKB1 | |
| SCHEMBL6498943 | 0.82 | BTK (0.35) | EPHX1GAASMN1; SMN2CACNA1BBTK | |
| SCHEMBL3068442 | 0.82 | EPHX1 (0.65) | EPHX1SMN1; SMN2NPC1HTTRAB9A | |
| SCHEMBL1151670 | 0.77 | EPHX1 (0.41) | EPHX1GAASMN1; SMN2CACNA1BBTK | |
| SCHEMBL12335551 | 0.77 | EPHX1 (0.50) | EPHX1GAACACNA1BBTKHTT | |
| SCHEMBL24515862 | 0.77 | BTK (0.52) | EPHX1GAASMN1; SMN2BTKNFKB1 | |
| SCHEMBL101218 | 0.77 | DGAT1 (0.46) | GAANFKB1NFKB2RELA |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023116761-A1 | PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 英矽智能科技知识产权有限公司 | 2023-06-29 | — | — | WO | disclosed |
| CN-110066302-A | Glucopyranosyl derivatives and application thereof | 广东东阳光药业有限公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-102596913-B | Cannabinoid receptor modulators | 艾尼纳制药公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-103539785-B | Cannibinoid receptor modulators | ARENA PHARM INC. (US) | 2015-09-23 | — | — | CN | disclosed |
| CN-102344457-B | Spirocyclic aminoquinolones as GSK-3 inhibitors | KYORIN SEIYAKU KK | 2015-07-22 | — | — | CN | disclosed |
| CN-104147011-A | Uses of pyridine-diketone serving as PDE4 inhibitor for treating eye diseases | ASTRAZENECA AB | 2014-11-19 | — | — | CN | disclosed |
| CN-101636388-B | 637 pyridopyrimidinediones as PDE4 inhibitors | ASTRAZENECA AB | 2013-09-18 | — | — | CN | disclosed |
| CN-102532135-A | Chemical compounds 637: pyridopyrimidinediones as pde4 inhibitors | ASTRAZENECA AB | 2012-07-04 | — | — | CN | disclosed |
| CN-102344457-A | Spirocyclic aminoquinolones as gsk-3 inhibitors | KYORIN SEIYAKU KK | 2012-02-08 | — | — | CN | disclosed |
| CN-102282158-A | Azepinone derivatives | — | 2011-12-14 | — | — | CN | disclosed |
| CN-101855229-A | Spirocyclic aminoquinolones as GSK-3 inhibitors | ACTIVX BIOSCIENCES INC | 2010-10-06 | — | — | CN | disclosed |
| CN-101636388-A | Compound 637: pyridopyrimidinediones as PDE4 inhibitors | ASTRAZENECA AB | 2010-01-27 | — | — | CN | disclosed |
| CN-1902191-A | Amidopyrazole derivative | DAIICHI SEIYAKU CO (JP) | 2007-01-24 | — | — | CN | disclosed |
| CN-1150192-C | Piperidines as CCR5 modulators | — | 2004-05-19 | — | — | CN | disclosed |
| CN-1331691-A | Piperidines as CCR5 modulators | PFIZER LTD (US) | 2002-01-16 | — | — | CN | disclosed |