Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.86 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.86 |
| ▸ | ESR1 | P03372 | 4/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10792875 | 1.00 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL3710821 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL22558063 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL64728 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL3931585 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL1409549 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL201704 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL3314443 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL236600 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL4718125 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2488530-A1 | SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS | Merck Canada Inc. (CA) | 2012-08-22 | — | — | EP | disclosed |
| EP-2467385-A1 | RENIN INHIBITORS | Merck Canada Inc. (CA) | 2012-06-27 | — | — | EP | disclosed |
| US-20120122906-A1 | NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME | KOWA COMPANY, LTD. (JP) | 2012-05-17 | — | — | US | disclosed |
| WO-2011057382-A1 | SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2011-05-19 | — | — | WO | disclosed |
| EP-2300453-A1 | 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2011-03-30 | — | — | EP | disclosed |
| WO-2011020193-A1 | RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2011-02-24 | — | — | WO | disclosed |
| EP-2274295-A1 | 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2011-01-19 | — | — | EP | disclosed |
| WO-2009140769-A1 | 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2009-11-26 | — | — | WO | disclosed |
| WO-2009135299-A1 | 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2009-11-12 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120122906-A1 | NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME | AGTR2, AGTR1, PPARA | ACHE 2888/4885TDP1 4627/4885CYP3A4 2984/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.