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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 9/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.45 |
| ▸ | ATM | Q13315 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13726427 | 0.99 | L3MBTL1 (0.49) | L3MBTL1MAPK1SMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL9288963 | 0.81 | KMT2A (0.48) | L3MBTL1MAPK1SMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL16667337 | 0.81 | L3MBTL1 (0.46) | L3MBTL1MAPK1SMN1; SMN2TSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL15465080 | 0.80 | L3MBTL1 (0.46) | L3MBTL1MAPK1SMN1; SMN2TSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL15465924 | 0.80 | LMNA (0.50) | L3MBTL1MAPK1SMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL13725754 | 0.80 | L3MBTL1 (0.45) | L3MBTL1MAPK1SMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL8531891 | 0.79 | LMNA (0.47) | L3MBTL1MAPK1SMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL9288587 | 0.79 | HSD17B10 (0.47) | L3MBTL1MAPK1SMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL8530888 | 0.79 | KMT2A (0.57) | L3MBTL1MAPK1SMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL13726870 | 0.79 | L3MBTL1 (0.49) | L3MBTL1MAPK1SMN1; SMN2TSHRHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9493468-B2 | Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzo-diazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with heterocyclic derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2016-11-15 | — | — | US | disclosed |
| US-20140045827-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2014-02-13 | — | — | US | 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-20140045827-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | GABBR1, HRH4, CYP1B1 | L3MBTL1 4609/4885MAPK1 2526/4885SMN1; SMN2 4689/4885 |
“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.