Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | ALPG | P10696 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28981602 | 0.85 | ESR1 (0.49) | ESR1ESR2ALDH1A1MAPK1BCHE | |
| SCHEMBL27541469 | 0.83 | KMT2A (0.59) | CYP3A4ALDH1A1NPC1RAB9ANPSR1 | |
| SCHEMBL27691335 | 0.83 | NPC1 (0.48) | CYP3A4ESR1ESR2NPC1RAB9A | |
| SCHEMBL28038148 | 0.83 | CYP3A4 (0.41) | CYP3A4FAAHALDH1A1MAPK1BCHE | |
| SCHEMBL11798709 | 0.83 | FAAH (0.49) | CYP3A4POLBTRPV1FAAHALDH1A1 | |
| SCHEMBL27753771 | 0.83 | TBXA2R (0.44) | CYP3A4FAAHALDH1A1MAPK1BCHE | |
| SCHEMBL27391395 | 0.83 | CYP3A4 (0.46) | CYP3A4FAAHALDH1A1MAPK1BCHE | |
| SCHEMBL10971933 | 0.82 | CYP3A4 (0.65) | CYP3A4ESR1ESR2POLBALDH1A1 | |
| SCHEMBL21357271 | 0.82 | CYP1A2 (0.56) | CYP3A4ALDH1A1MAPK1NPC1RAB9A | |
| SCHEMBL27864672 | 0.82 | CYP3A4 (0.48) | CYP3A4FAAHALDH1A1MAPK1BCHE |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115353466-B | Preparation and purification method of neostigmine methosulfate | 云南先施药业有限公司 | 2023-08-01 | — | — | CN | disclosed |
| CN-116082193-A | Preparation and purification method of neostigmine methosulfate | 云南先施药业有限公司 | 2023-05-09 | — | — | CN | disclosed |
| CN-108047142-B | Heteroaryl compounds and uses thereof | 西建卡尔有限责任公司 | 2021-08-03 | — | — | CN | disclosed |
| CN-110177795-A | Prepare the new method and intermediate of Thienopyrimidine compound | 韩美药品株式会社 | 2019-08-27 | — | — | CN | disclosed |
| CN-109563073-A | For the treatment of para-5-HT1AReceptor-controlled serotonergic disease-modulating compounds | 诺罗利西斯公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-109476699-A | Glucocorticoid receptor agonist and its immune conjugate | 艾伯维公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-108137614-A | A kind of condensed pyramidine compounds and composition comprising the compound and application thereof | 深圳市塔吉瑞生物医药有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-108047142-A | Heteroaryl compound and its purposes | 阿维拉制药公司 | 2018-05-18 | — | — | CN | disclosed |
| CN-106146407-A | Heteroaryl compound and its purposes | 阿维拉制药公司 | 2016-11-23 | — | — | CN | disclosed |
| CN-102740847-B | Heteroaryl compounds and uses thereof | 阿维拉制药公司 | 2016-06-29 | — | — | CN | disclosed |
| CN-102656142-A | Substituted benzenesulfonamides | BAYER SCHERING PHARMA AG | 2012-09-05 | — | — | CN | disclosed |
| CN-102083800-A | Heteroaryl compounds and uses thereof | AVILA THERAPEUTICS AND USES TH | 2011-06-01 | — | — | CN | disclosed |
| CN-102036952-A | Bis-aryl compounds for use as medicaments | BIOLIPOX AB | 2011-04-27 | — | — | CN | disclosed |
| EP-1226119-B1 | TYROSINE KINASE INHIBITORS | MERCK & CO INC (US) | 2005-03-16 | — | — | EP | disclosed |
| CN-1162427-C | Amine derivatives compounds | ������������ʽ���� | 2004-08-18 | — | — | CN | disclosed |
| EP-1226119-A4 | TYROSINE KINASE INHIBITORS | MERCK & CO INC (US) | 2003-04-09 | — | — | EP | disclosed |
| US-6479512-B1 | TO TREAT TYROSINE KINASE-DEPENDENT DISEASES AND CONDITIONS, SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, ETC. | MERCK & CO., INC. | 2002-11-12 | — | — | US | disclosed |
| EP-1226119-A2 | TYROSINE KINASE INHIBITORS | MERCK & CO. INC. (US) | 2002-07-31 | — | — | EP | disclosed |
| CN-1354750-A | Amine derivatives compounds | SANKYO CO (JP) | 2002-06-19 | — | — | CN | disclosed |
| WO-2001028993-A2 | TYROSINE KINASE INHIBITORS | MERCK & CO. INC. (US) | 2001-04-26 | — | — | WO | disclosed |