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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.42 |
| ▸ | CHRNG | P07510 | 1/20 | 0.42 |
| ▸ | CHRNB1 | P11230 | 1/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL3892616 | 0.86 | ROCK2 (0.47) | ROCK2CYP3A4ROCK1PARP1CES2 | |
| Bromide SCHEMBL3889498 | 0.84 | PARP1 (0.42) | PARP1NOS3NOS1NOS2NPC1 | |
| Bromide SCHEMBL6283052 | 0.84 | NPC1 (0.53) | ROCK2CYP3A4ROCK1CYP2D6PARP1 | |
| Bromide SCHEMBL3887674 | 0.83 | CYP3A4 (0.38) | ROCK2CYP3A4ROCK1CYP2D6ALDH1A1 | |
| SCHEMBL6505647 | 0.83 | PARP1 (0.43) | PARP1NOS3NOS1NOS2NPC1 | |
| Bromide SCHEMBL3892578 | 0.83 | PARP1 (0.43) | PARP1NPC1RAB9APKMCHRNA1 | |
| SCHEMBL7142373 | 0.82 | NPC1 (0.54) | ROCK2CYP3A4ROCK1CYP2D6PARP1 | |
| Bromide SCHEMBL3891895 | 0.82 | GABRP (0.46) | CYP3A4CES2CES1ALDH1A1HPGD | |
| Bromide SCHEMBL3888929 | 0.81 | PARP1 (0.42) | PARP1NPC1RAB9APKMCHRNA1 | |
| Bromide SCHEMBL3886815 | 0.81 | CES2 (0.46) | CYP3A4PARP1CES2CES1NPC1 |
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-7199124-B2 | JNK inhibitor | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-04-03 | — | — | US | disclosed |
| US-20050080113-A1 | Medicinal compositions | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-04-14 | — | — | US | disclosed |
| US-20040063946-A1 | Jnk inhibitor | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-04-01 | — | — | US | disclosed |
| EP-1402900-A1 | MEDICINAL COMPOSITIONS | Takeda Chemical Industries, Ltd. (JP) | 2004-03-31 | — | — | EP | disclosed |
| EP-1364949-A1 | JNK INHIBITOR | Takeda Chemical Industries, Ltd. (JP) | 2003-11-26 | — | — | EP | 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-20050080113-A1 | Medicinal compositions | TNF, TRAF6, MMP8 | SLC6A2 4327/4885SLC6A3 4560/4885ROCK2 102/4885 |
| US-20040063946-A1 | Jnk inhibitor | MAPK1, MAPK7, MAP3K7 | SLC6A2 2307/4885SLC6A3 3210/4885ROCK2 650/4885 |
“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.