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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.44 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KDM6B | O15054 | 1/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5700043 | 0.98 | TDP1 (0.46) | TDP1SIRT3HASPINCCNCCDK8 | |
| SCHEMBL31407215 | 0.82 | CCNC (0.43) | TDP1SIRT3HASPINCCNCCDK8 | |
| SCHEMBL782625 | 0.82 | CCNC (0.43) | TDP1SIRT3HASPINCCNCCDK8 | |
| SCHEMBL22568865 | 0.81 | TDP1 (0.44) | TDP1SIRT3CCNCCDK8ROCK2 | |
| Bromide SCHEMBL21816290 | 0.79 | KDM4E (0.57) | TDP1SIRT3KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL933359 | 0.79 | KDM4C (0.53) | TDP1SIRT3CCNCCDK8KDM4C | |
| SCHEMBL28317597 | 0.79 | TDP1 (0.50) | TDP1SIRT3HASPINROCK2ROCK1 | |
| SCHEMBL31688820 | 0.78 | SIRT3 (0.60) | TDP1SIRT3CCNCCDK8ROCK1 | |
| SCHEMBL1379680 | 0.78 | SIRT3 (0.60) | TDP1SIRT3CCNCCDK8ROCK1 | |
| SCHEMBL5700036 | 0.78 | TDP1 (0.37) | TDP1SIRT3CCNCCDK8KDM4C |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180148429-A1 | SUBSTITUTED QUINOXALINE DERIVATIVES | SELVITA S.A. (PL) | 2018-05-31 | — | — | US | disclosed |
| EP-3294729-A1 | SUBSTITUTED QUINOXALINE DERIVATIVES | SELVITA S.A. (PL) | 2018-03-21 | — | — | EP | disclosed |
| WO-2016180536-A1 | SUBSTITUTED QUINOXALINE DERIVATIVES | SELVITA S.A. (PL) | 2016-11-17 | — | — | 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 (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-20180148429-A1 | SUBSTITUTED QUINOXALINE DERIVATIVES | BRCA1, NQO2, NQO1 | TDP1 583/4885SIRT3 405/4885HASPIN 1382/4885 |
“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.