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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | AGXT | P21549 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16478 | 0.97 | TSHR (0.70) | TSHRIDO1TP53AGXTALDH1A1 | |
| Water SCHEMBL27795742 | 0.95 | TSHR (0.67) | TSHRIDO1TP53AGXTALDH1A1 | |
| Water SCHEMBL27893853 | 0.95 | TSHR (0.67) | TSHRIDO1TP53AGXTALDH1A1 | |
| SCHEMBL27473996 | 0.95 | TSHR (0.67) | TSHRIDO1TP53AGXTALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL2308512 | 0.95 | TSHR (0.67) | TSHRIDO1TP53AGXTALDH1A1 | |
| SCHEMBL25430960 | 0.95 | TSHR (0.67) | TSHRIDO1TP53AGXTALDH1A1 | |
| SCHEMBL27536462 | 0.95 | TSHR (0.67) | TSHRIDO1TP53AGXTALDH1A1 | |
| Methane SCHEMBL27697997 | 0.95 | TSHR (0.67) | TSHRIDO1TP53AGXTALDH1A1 | |
| SCHEMBL27338877 | 0.95 | TSHR (0.67) | TSHRIDO1TP53AGXTALDH1A1 | |
| Ethylene SCHEMBL27782087 | 0.93 | TSHR (0.64) | TSHRIDO1TP53AGXTALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3630756-B1 | PROCESS FOR THE PREPARATION OF AN UMECLIDINIUM SYNTHESIS INTERMEDIATE | OLON SPA (IT) | 2021-12-29 | — | — | EP | disclosed |
| US-11028082-B2 | Process for the preparation of a novel umeclidinium synthesis intermediate | OLON S.P.A. (IT) | 2021-06-08 | — | — | US | disclosed |
| EP-3630756-A1 | PROCESS FOR THE PREPARATION OF A NOVEL UMECLIDINIUM SYNTHESIS INTERMEDIATE | OLON S.p.A. (IT) | 2020-04-08 | — | — | EP | disclosed |
| US-20200102300-A1 | PROCESS FOR THE PREPARATION OF A NOVEL UMECLIDINIUM SYNTHESIS INTERMEDIATE | OLON S.P.A. (IT) | 2020-04-02 | — | — | US | disclosed |
| WO-2018220501-A1 | PROCESS FOR THE PREPARATION OF A NOVEL UMECLIDINIUM SYNTHESIS INTERMEDIATE | OLON S.P.A. (IT) | 2018-12-06 | — | — | 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 (2 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-11028082-B2 | Process for the preparation of a novel umeclidinium synthesis intermediate | UMPS, UROD, UGP2 | TSHR 4472/4885IDO1 3703/4885TP53 4457/4885 |
| US-20200102300-A1 | PROCESS FOR THE PREPARATION OF A NOVEL UMECLIDINIUM SYNTHESIS INTERMEDIATE | UMPS, UROD, UGP2 | TSHR 4472/4885IDO1 3703/4885TP53 4457/4885 |
“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.