Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A1 | P30531 | 2/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.43 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.43 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 5/20 | 0.32 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27915636 | 1.00 | SLC6A1 (0.43) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL27934254 | 1.00 | SLC6A1 (0.43) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL27568926 | 0.90 | GABRA5 (0.34) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL27694069 | 0.89 | KMT2A (0.37) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Methyl Alcohol SCHEMBL27528171 | 0.89 | GABRA5 (0.33) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Hydrochloric Acid SCHEMBL27691589 | 0.89 | GNAI3 (0.35) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL28664534 | 0.86 | LMNA (0.32) | ATM | |
| SCHEMBL27493732 | 0.81 | THRA (0.39) | ATM | |
| SCHEMBL27759460 | 0.80 | SLC6A1 (0.30) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| SCHEMBL27896511 | 0.80 | HTR4 (0.36) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104136435-A | BROMODOMAIN INHIBITORS | ABBVIE INC | 2014-11-05 | — | — | CN | claimed |
| CN-112867712-A | Carboxamides as ubiquitin-specific protease inhibitors | 瓦洛早期发现股份有限公司 | 2021-05-28 | — | — | CN | disclosed |
| CN-109996792-A | With the active heterocyclic compound in treatment CNS disease and pain as the regulator of muscarinic M 1 and/or M4 receptor | 赫普泰雅治疗有限公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-109593096-A | Tricyclic heterocyclic as BET protein inhibitor | 因赛特公司 | 2019-04-09 | — | — | CN | disclosed |
| CN-109153648-A | Benzazepine diformamide compound with teritary amide functional group | 豪夫迈·罗氏有限公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-105164131-B | Tricyclic heterocycles as BET protein inhibitors | 因赛特公司 | 2018-12-28 | — | — | CN | disclosed |
| CN-103265477-B | Aminoheteroaryl compounds as protein kinase inhibitors | 苏根公司 | 2017-01-11 | — | — | CN | disclosed |
| CN-103848785-B | One class deuterated 3-cyano quinoline compound, its Pharmaceutical composition, preparation method and its usage | 上海医药集团股份有限公司 | 2016-07-13 | — | — | CN | disclosed |
| CN-105452238-A | Bicyclic derivatives containing a pyrimidine ring and process for preparing the same | YUHAN CORP | 2016-03-30 | — | — | CN | disclosed |
| CN-102939283-B | Indazole compounds useful as ketohexokinase inhibitors | JANSSEN PHARMACEUTICA NV | 2015-06-03 | — | — | CN | disclosed |
| CN-102361863-B | Novel bicyclic antibiotics | BASILEA PHARMACEUTICA AG | 2014-12-03 | — | — | CN | disclosed |
| CN-104136435-A | BROMODOMAIN INHIBITORS | ABBVIE INC | 2014-11-05 | — | — | CN | disclosed |
| CN-102186856-B | Pyrrolopyrimidines as CDK inhibitors | NOVARTIS AG | 2014-09-24 | — | — | CN | disclosed |
| CN-103848785-A | Perylene 3-cyano quinoline compound, medicinal compound, and preparation method and use thereof | SHANGHAI PHARMACEUTICAL GROUP CO LTD | 2014-06-11 | — | — | CN | disclosed |
| CN-103788100-A | Pyrrolopyrimidine compounds as CDK inhibitors | NOVARTIS AG | 2014-05-14 | — | — | CN | disclosed |
| CN-101835757-B | Diacylglycerol acyltransferase inhibitors | HOFFMANN LA ROCHE | 2014-03-05 | — | — | CN | disclosed |
| CN-101304987-B | Aminophenylsulfonamide derivatives as HIV protease inhibitor | TIBOTEC PHARM LTD | 2013-11-06 | — | — | CN | disclosed |
| CN-103265477-A | Aminoheteroaryl compounds as protein kinase inhibitors | SUGEN INC | 2013-08-28 | — | — | CN | disclosed |
| CN-102939283-A | Indazole compounds useful as ketohexokinase inhibitors | JANSSEN PHARMACEUTICA NV | 2013-02-20 | — | — | CN | disclosed |
| CN-1897950-A | Fused aryl and heteroaryl derivatives and methods of use thereof | WYETH CORP (US) | 2007-01-17 | — | — | CN | disclosed |