Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.61 |
| ▸ | BCHE | P06276 | 3/20 | 0.57 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.57 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.55 |
| ▸ | LCK | P06239 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | GRM5 | P41594 | 1/20 | 0.50 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | CDK4 | P11802 | 1/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.50 |
| ▸ | CCND1 | P24385 | 1/20 | 0.50 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.50 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1268719 | 0.84 | MAOB (0.81) | MAOBBCHECYP4F2CYP4A11MAOA | |
| SCHEMBL15761340 | 0.80 | BCHE (0.70) | MAOBBCHECYP4F2CYP4A11MAOA | |
| SCHEMBL1351689 | 0.79 | BCHE (0.64) | MAOBBCHECYP4F2CYP4A11MAOA | |
| SCHEMBL6209659 | 0.79 | MAOB (0.57) | MAOBBCHECYP4F2CYP4A11MAOA | |
| Bromide SCHEMBL21874203 | 0.79 | LMNA (0.64) | MAOBBCHEMAOANR4A2ALOX5 | |
| SCHEMBL28182081 | 0.79 | MAOB (0.79) | MAOBBCHECYP4F2CYP4A11MAOA | |
| SCHEMBL28237963 | 0.79 | MAOB (0.72) | MAOBBCHECYP4F2CYP4A11MAOA | |
| SCHEMBL5329319 | 0.79 | MAOB (0.72) | MAOBBCHECYP4F2CYP4A11MAOA | |
| SCHEMBL379281 | 0.79 | MAOB (0.67) | MAOBBCHECYP4F2CYP4A11MAOA | |
| Bromide SCHEMBL30583587 | 0.78 | BCHE (0.62) | MAOBBCHECYP4F2CYP4A11MAOA |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104016879-B | Dibenzoyl amine compound with anti-tumor activity and its preparation method and application | XI'AN JIAOTONG UNIVERSITY (CN) | 2016-02-24 | — | — | CN | claimed |
| CN-103980153-B | Dibenzoyl amine compound with anti-tumor activity and its preparation method and application | XI'AN JIAOTONG UNIVERSITY (CN) | 2016-01-20 | — | — | CN | claimed |
| CN-104016879-A | Diphenyl amide compound with anti-tumor activity as well as preparation method and application of diphenyl amide compound | UNIV XI AN JIAOTONG | 2014-09-03 | — | — | CN | claimed |
| CN-103980153-A | Biphenyl amide compound with antitumor activity as well as preparation method and application thereof | UNIV XI AN JIAOTONG | 2014-08-13 | — | — | CN | claimed |
| CN-117881671-A | Kinase modulators, compositions comprising the same, and methods of use thereof | 百放开曼有限公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-107207473-A | Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity | 奇斯药制品公司 | 2017-09-26 | — | — | CN | disclosed |
| CN-105732533-A | Substituted n-pentanamide compounds as well as preparation method and use thereof | 中国科学院上海药物研究所 | 2016-07-06 | — | — | CN | disclosed |
| CN-103339116-B | Substituted n-valeramide compound, preparation method and application thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2016-04-06 | — | — | CN | disclosed |
| CN-104016879-B | Dibenzoyl amine compound with anti-tumor activity and its preparation method and application | XI'AN JIAOTONG UNIVERSITY (CN) | 2016-02-24 | — | — | CN | disclosed |
| CN-103980153-B | Dibenzoyl amine compound with anti-tumor activity and its preparation method and application | XI'AN JIAOTONG UNIVERSITY (CN) | 2016-01-20 | — | — | CN | disclosed |
| CN-104016879-A | Diphenyl amide compound with anti-tumor activity as well as preparation method and application of diphenyl amide compound | UNIV XI AN JIAOTONG | 2014-09-03 | — | — | CN | disclosed |
| CN-103980153-A | Biphenyl amide compound with antitumor activity as well as preparation method and application thereof | UNIV XI AN JIAOTONG | 2014-08-13 | — | — | CN | disclosed |
| CN-102617501-A | Substituted valeramide compound, preparation method and application thereof | SHANGHAI INST MATERIA MEDICA | 2012-08-01 | — | — | CN | disclosed |
| CN-102083783-A | Substituted biphenyl GPR40 modulators | AMGEN INC | 2011-06-01 | — | — | CN | disclosed |