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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.54 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20556001 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL27511417 | 0.95 | ACHE (0.54) | ACHECA1CA2CA7CA9 | |
| Tetrahydrofuran SCHEMBL28758491 | 0.85 | ALDH1A1 (0.43) | ACHECA1CA2CA7CA9 | |
| 1,3-Dimethoxybenzene SCHEMBL9350 | 0.79 | ACHE (0.70) | ACHECA1CA2CA7CA9 | |
| 1,3-Dimethoxybenzene SCHEMBL901285 | 0.79 | ACHE (0.70) | ACHECA1CA2CA7CA9 | |
| Bromide SCHEMBL21796147 | 0.77 | MAOB (0.37) | CYP3A4CYP1A2 | |
| 1,3-Dimethoxybenzene SCHEMBL7860661 | 0.76 | ACHE (0.67) | ACHECA1CA2CA7CA9 | |
| 1,3-Dimethoxybenzene SCHEMBL28542304 | 0.76 | ACHE (0.67) | ACHECA1CA2CA7CA9 | |
| 1,3-Dimethoxybenzene SCHEMBL28343465 | 0.76 | ACHE (0.67) | ACHECA1CA2CA7CA9 | |
| 1,3-Dimethoxybenzene SCHEMBL15870025 | 0.76 | ACHE (0.67) | ACHECA1CA2CA7CA9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108676047-A | Hcv polymerase inhibitors | 美迪维尔公司 | 2018-10-19 | — | — | CN | disclosed |
| CN-108558973-A | Hcv polymerase inhibitors | 美迪维尔公司 | 2018-09-21 | — | — | CN | disclosed |
| CN-105209448-B | Tricyclic compounds and uses thereof | 株式会社蒂奥姆生物 | 2018-09-14 | — | — | CN | disclosed |
| CN-108017603-A | Tricyclic compounds and uses thereof | 株式会社蒂奥姆生物 | 2018-05-11 | — | — | CN | disclosed |
| CN-107074826-A | Dioxolane analogues of uridine for the treatment of cancer | 美迪维尔公司 | 2017-08-18 | — | — | CN | disclosed |
| CN-105189516-B | Oxabicyclo [2.2.2] acid GPR120 modulators | 百时美施贵宝公司 | 2017-08-15 | — | — | CN | disclosed |
| CN-104507931-B | Noval chemical compound | 阿斯特克斯治疗有限公司 | 2017-06-30 | — | — | CN | disclosed |
| CN-1942427-B | Indene derivatives and process for the preparation thereof | KOREA RES INST CHEM TECH | 2010-05-26 | — | — | CN | disclosed |
| CN-1942427-A | Indene derivatives and process for the preparation thereof | KOREA RES INST CHEM TECH (KR) | 2007-04-04 | — | — | CN | disclosed |