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 | 0.46 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.46 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | PRKACA | P17612 | 3/20 | 0.46 |
| ▸ | GSK3A | P49840 | 3/20 | 0.46 |
| ▸ | GSK3B | P49841 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.46 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.46 |
| ▸ | PRKCG | P05129 | 2/20 | 0.46 |
| ▸ | CDK1 | P06493 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7142373 | 0.99 | NPC1 (0.54) | NPC1CES2CES1KMT2APARP1 | |
| Bromide SCHEMBL6285575 | 0.86 | ALDH1A1 (0.54) | CES2CES1KMT2ACYP2D6CYP3A4 | |
| SCHEMBL7144956 | 0.84 | ALDH1A1 (0.55) | CES2CES1KMT2ACYP2D6CYP3A4 | |
| Bromide SCHEMBL5200458 | 0.84 | ROCK2 (0.47) | NPC1CES2CES1KMT2APARP1 | |
| Bromide SCHEMBL3892616 | 0.84 | ROCK2 (0.47) | NPC1CES2CES1KMT2APARP1 | |
| Bromide SCHEMBL6284177 | 0.83 | CYP1A2 (0.53) | NPC1CES2CES1KMT2APARP1 | |
| Hydrochloric Acid SCHEMBL11490909 | 0.82 | CES2 (0.51) | NPC1CES2CES1KMT2APARP1 | |
| Bromide SCHEMBL6283062 | 0.82 | NT5E (0.51) | NPC1KMT2APARP1CHRNA1CHRNG | |
| SCHEMBL7140563 | 0.81 | CYP1A2 (0.54) | NPC1CES2CES1KMT2APARP1 | |
| Hydrochloric Acid SCHEMBL6708543 | 0.81 | NPC1 (0.53) | NPC1CES2CES1KMT2APARP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6962933-B1 | Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-08 | — | — | US | disclosed |
| US-20050080113-A1 | Medicinal compositions | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-04-14 | — | — | US | disclosed |
| US-20040097555-A1 | Concomitant drugs | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-05-20 | — | — | US | disclosed |
| EP-1402900-A1 | MEDICINAL COMPOSITIONS | Takeda Chemical Industries, Ltd. (JP) | 2004-03-31 | — | — | EP | disclosed |
| EP-1027050-B1 | 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2004-01-14 | — | — | EP | disclosed |
| EP-1354603-A1 | CONCOMITANT DRUGS | Takeda Chemical Industries, Ltd. (JP) | 2003-10-22 | — | — | EP | disclosed |
| EP-1205478-A1 | p38MAP KINASE INHIBITORS | Takeda Chemical Industries, Ltd. (JP) | 2002-05-15 | — | — | 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 4560/4885NPC1 1275/4885 |
| US-20040097555-A1 | Concomitant drugs | TNF, CHUK, CNKSR1 | SLC6A2 2202/4885SLC6A3 3378/4885NPC1 3258/4885 |
“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.