Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 2/20 | 0.40 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | CPN1 | P15169 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27504346 | 1.00 | SLC6A1 (0.40) | SLC6A1SLC6A11TSHRLMNASMN1; SMN2 | |
| SCHEMBL27657052 | 1.00 | SLC6A1 (0.40) | SLC6A1SLC6A11TSHRLMNASMN1; SMN2 | |
| SCHEMBL27908028 | 0.95 | CYP19A1 (0.38) | SLC6A1SLC6A11TSHRLMNASMN1; SMN2 | |
| SCHEMBL27653752 | 0.89 | SLC6A1 (0.33) | SLC6A1SLC6A11SLC6A13CYP19A1 | |
| SCHEMBL20617836 | 0.89 | SLC6A1 (0.33) | SLC6A1SLC6A11SLC6A13CYP19A1 | |
| SCHEMBL27598186 | 0.89 | SLC6A1 (0.33) | SLC6A1SLC6A11SLC6A13CYP19A1 | |
| SCHEMBL27761386 | 0.86 | CYP19A1 (0.39) | SLC6A1SLC6A11TSHRLMNASMN1; SMN2 | |
| SCHEMBL28323285 | 0.82 | SLC6A1 (0.40) | SLC6A1SLC6A11TSHRLMNASMN1; SMN2 | |
| SCHEMBL48890 | 0.81 | CHRNB2 (0.32) | ATMCYP19A1CHRNB2CHRNA4 | |
| SCHEMBL21003949 | 0.79 | SLC6A1 (0.44) | SLC6A1SLC6A11TSHRLMNASMN1; SMN2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107501275-B | It can be used as the compound of ATR kinase inhibitor | Votex Pharmaceutical Co., Ltd. (US) | 2019-11-22 | — | — | CN | disclosed |
| CN-107501274-B | It can be used as the compound of ATR kinase inhibitor | Votex Pharmaceutical Co., Ltd. (US) | 2019-11-22 | — | — | CN | disclosed |
| CN-106573001-A | Aminopyridazinone compounds as protein kinase inhibitors | 永恒生物科技公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-105940004-A | Compounds | 葛兰素史密斯克莱知识产权发展有限公司 | 2016-09-14 | — | — | CN | disclosed |
| CN-105793238-A | Substituted benzamides and methods of use thereof | 基因泰克公司 | 2016-07-20 | — | — | CN | disclosed |
| CN-105764896-A | Inhibitors of Bruton's tyrosine kinase | 药品循环有限责任公司 | 2016-07-13 | — | — | CN | disclosed |
| CN-105143185-A | Novel pyrimidine and pyridine compounds and their use | HUTCHISON MEDIPHARMA LTD | 2015-12-09 | — | — | CN | disclosed |
| CN-104974140-A | 2,3,4,6-tetrasubstituted benzene-1,5-diamine derivatives, preparation method thereof and medicinal application thereof | SHANGHAI HAIYAN PHARMA TECHNOLOGY CO LTD | 2015-10-14 | — | — | CN | disclosed |
| CN-104918939-A | Purine inhibitors of human phosphatidylinositol 3-kinase | MERCK SHARP & DOHME | 2015-09-16 | — | — | CN | disclosed |
| CN-104903325-A | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA | 2015-09-09 | — | — | CN | disclosed |
| CN-104487441-A | Reversible covalent pyrrolo- or pyrazolopyrimidines useful for treatment of cancer and autoimmune diseases | PRINCIPIA BIOPHARMA INC | 2015-04-01 | — | — | CN | disclosed |
| CN-104379568-A | Quinazolinedione derivative | CHUGAI PHARMACEUTICAL CO LTD | 2015-02-25 | — | — | CN | disclosed |
| CN-104379586-A | Protein kinase inhibitors | PHARMASCIENCE INC | 2015-02-25 | — | — | CN | disclosed |
| CN-103917545-A | BTK inhibitors | MERCK SHARP & DOHME | 2014-07-09 | — | — | CN | disclosed |
| CN-102740847-A | Heteroaryl compounds and uses thereof | AVILA THERAPEUTICS INC | 2012-10-17 | — | — | CN | disclosed |
| CN-102083800-A | Heteroaryl compounds and uses thereof | AVILA THERAPEUTICS AND USES TH | 2011-06-01 | — | — | CN | disclosed |
| CN-101405265-A | Amido compounds and their use as pharmaceuticals | INCYTE CORP (US) | 2009-04-08 | — | — | CN | disclosed |