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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 2/20 | 0.37 |
| ▸ | AGXT | P21549 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HBB | P68871 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3110227 | 0.98 | ALDH1A1 (0.43) | ALDH1A1TSHRSMN1; SMN2MAPK14ALOX15 | |
| Bromide SCHEMBL3107377 | 0.95 | ALDH1A1 (0.41) | ALDH1A1TSHRSMN1; SMN2MAPK14ALOX15 | |
| SCHEMBL3110224 | 0.77 | ADRA1D (0.47) | ALDH1A1TSHRSMN1; SMN2KDM4EPOLB | |
| SCHEMBL4912652 | 0.76 | IDO1 (0.42) | ALDH1A1TSHRSMN1; SMN2IDO1DHFR | |
| SCHEMBL22925525 | 0.74 | SMN1; SMN2 (0.49) | ALDH1A1TSHRSMN1; SMN2MAPK14ALOX15 | |
| SCHEMBL945487 | 0.74 | ALDH1A1 (0.47) | ALDH1A1TSHRSMN1; SMN2MAPK14ALOX15 | |
| SCHEMBL4955620 | 0.73 | IDO1 (0.36) | ALDH1A1TSHRSMN1; SMN2IDO1DHFR | |
| SCHEMBL4951861 | 0.73 | ROCK1 (0.39) | ALDH1A1TSHRSMN1; SMN2ALOX15IDO1 | |
| SCHEMBL27882191 | 0.70 | ALDH1A1 (0.43) | ALDH1A1TSHRSMN1; SMN2MAPK14IDO1 | |
| SCHEMBL15804049 | 0.70 | BRD4 (0.54) | ALDH1A1SMN1; SMN2MAPK14KDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-20100279986-A1 | HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-11-04 | — | — | US | disclosed |
| US-7803793-B2 | Heterocyclic derived metalloprotease inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2010-09-28 | — | — | US | disclosed |
| EP-2089365-A1 | HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2009-08-19 | — | — | EP | disclosed |
| US-20080103129-A1 | HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-05-01 | — | — | US | disclosed |
| WO-2008045668-A1 | HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-04-17 | — | — | 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-20080103129-A1 | HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS | ADAM17, MMP25, ADAM33 | ALDH1A1 530/4885TSHR 4534/4885SMN1; SMN2 1626/4885 |
| US-20100279986-A1 | HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS | ADAM17, MMP25, ADAM33 | ALDH1A1 530/4885TSHR 4534/4885SMN1; SMN2 1626/4885 |
“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.