Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | BACE1 | P56817 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.50 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | GPR3 | P46089 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29502790 | 0.78 | CYP1A2 (1.00) | CYP1A2BACE1KDM4EL3MBTL1MAPT | |
| SCHEMBL29726892 | 0.78 | BACE1 (0.44) | CYP1A2BACE1KDM4EMAPTPOLB | |
| SCHEMBL89010 | 0.78 | CYP1A2 (1.00) | CYP1A2BACE1KDM4EL3MBTL1MAPT | |
| SCHEMBL1088580 | 0.78 | CYP1A2 (0.69) | CYP1A2BACE1KDM4EL3MBTL1MAPT | |
| SCHEMBL1257332 | 0.78 | BACE1 (0.44) | CYP1A2BACE1KDM4EMAPTPOLB | |
| Bromide SCHEMBL9222732 | 0.78 | ADORA2A (0.47) | CYP1A2BACE1MAPTPOLBALDH1A1 | |
| SCHEMBL9724208 | 0.78 | KMT2A (0.51) | CYP1A2KDM4EL3MBTL1MAPTPOLB | |
| Hydrochloric Acid SCHEMBL11674460 | 0.77 | CYP1A2 (0.96) | CYP1A2BACE1KDM4EL3MBTL1MAPT | |
| SCHEMBL423891 | 0.76 | L3MBTL1 (0.71) | CYP1A2BACE1KDM4EL3MBTL1MAPT | |
| SCHEMBL10336509 | 0.76 | CYP1A2 (0.60) | CYP1A2BACE1KDM4EL3MBTL1MAPT |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110272383-A | 2- is alkylated 4- methylquinoline, derivative and its synthetic method | 湘潭大学 | 2019-09-24 | — | — | CN | claimed |
| CN-110003103-A | A kind of two area side's acid quinoline dye of near-infrared and preparation method thereof | 南通大学 | 2019-07-12 | — | — | CN | claimed |
| CN-115925685-B | Triheteroaryltertiary amine and synthesis method thereof | 南昌大学 | 2023-05-16 | — | — | CN | disclosed |
| CN-115925685-A | Tri-heteroaryl tertiary amine and synthesis method thereof | 南昌大学 | 2023-04-07 | — | — | CN | disclosed |
| WO-2023020512-A1 | SUBSTITUTED PYRIDINE ANALOGUE, PREPARATION METHOD THEREFOR, AND USE THEREOF AS AHR MODULATOR | 成都奥睿药业有限公司 | 2023-02-23 | — | — | WO | disclosed |
| CN-108947898-B | Organic photoelectric functional material and application thereof | 南京工业大学 | 2021-11-05 | — | — | CN | disclosed |
| CN-106187873-B | A kind of aryl amine alkyl oxygen class compound and preparation method thereof | 宜春学院 | 2019-11-05 | — | — | CN | disclosed |
| CN-110272383-A | 2- is alkylated 4- methylquinoline, derivative and its synthetic method | 湘潭大学 | 2019-09-24 | — | — | CN | disclosed |
| CN-110003103-A | A kind of two area side's acid quinoline dye of near-infrared and preparation method thereof | 南通大学 | 2019-07-12 | — | — | CN | disclosed |
| CN-108947898-A | Organic photoelectric functional material and application thereof | 南京工业大学 | 2018-12-07 | — | — | CN | disclosed |
| CN-108771681-A | As the compound of DNA-PK inhibitor and its eutectic of deuterated derivatives | 沃泰克斯药物股份有限公司 | 2018-11-09 | — | — | CN | disclosed |
| CN-106187873-A | A kind of aryl amine alkyl oxygen compounds and preparation method thereof | 宜春学院 | 2016-12-07 | — | — | CN | disclosed |
| CN-105814036-A | Co-crystals of (S) -N-methyl-8- (1- ((2 '-methyl- [4, 5' -bipyrimidin ] -6-yl) amino) propan-2-yl) quinoline-4-carboxamide and deuterated derivatives thereof as DNA-PK inhibitors | 沃泰克斯药物股份有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-105636958-A | Dna-pk inhibitors | VERTEX PHARMA | 2016-06-01 | — | — | CN | disclosed |
| CN-103003290-B | Metal complexes | MERCK PATENT GMBH (DE) | 2016-05-04 | — | — | CN | disclosed |
| US-9331290-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2016-05-03 | — | — | US | disclosed |
| US-20130112920-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2013-05-09 | — | — | US | disclosed |
| WO-2012007086-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2012-01-19 | — | — | WO | disclosed |
| CN-100345852-C | Quinolinyl-pyrrolopyrazoles | LILLY CO ELI (US) | 2007-10-31 | — | — | CN | disclosed |
| CN-1714090-A | Quinolinyl-pyrrolopyrazoles | LILLY CO ELI (US) | 2005-12-28 | — | — | CN | disclosed |