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 | 0.43 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.43 |
| ▸ | NT5E | P21589 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.48 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.48 |
| ▸ | VNN1 | O95497 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | ITK | Q08881 | 1/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | CHRNG | P07510 | 1/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | CHRND | Q07001 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7143390 | 0.98 | NT5E (0.52) | NT5EPKMNPC1RAB9AALDH1A1 | |
| Bromide SCHEMBL6276618 | 0.86 | GAA (0.44) | NT5EPKMNPC1RAB9AALDH1A1 | |
| Bromide SCHEMBL6284648 | 0.85 | NPC1 (0.50) | NT5ENPC1RAB9AALDH1A1VNN1 | |
| Bromide SCHEMBL3888884 | 0.85 | PARP1 (0.41) | NT5EPKMNPC1RAB9AKCNK3 | |
| SCHEMBL7148793 | 0.84 | GAA (0.45) | NT5EPKMNPC1RAB9AALDH1A1 | |
| Bromide SCHEMBL6285221 | 0.84 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2KDM4ELMNAHDAC8 | |
| SCHEMBL7148265 | 0.83 | NPC1 (0.51) | NT5ENPC1RAB9AALDH1A1VNN1 | |
| SCHEMBL17762880 | 0.83 | PARP1 (0.50) | NPC1RAB9AKCNK3KCNK9PARP1 | |
| Bromide SCHEMBL3888871 | 0.82 | PARP1 (0.39) | NT5EPKMNPC1RAB9AALDH1A1 | |
| Bromide SCHEMBL3889498 | 0.82 | PARP1 (0.42) | NT5EPKMNPC1RAB9AALDH1A1 |
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 9 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 |
| EP-1027050-A2 | ADENOSINE A3 RECEPTOR ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999021555-A2 | ADENOSINE A3 RECEPTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-05-06 | — | — | 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-20050080113-A1 | Medicinal compositions | TNF, TRAF6, MMP8 | SLC6A2 4327/4885SLC6A3 4560/4885NT5E 1097/4885 |
| US-20040097555-A1 | Concomitant drugs | TNF, CHUK, CNKSR1 | SLC6A2 2202/4885SLC6A3 3378/4885NT5E 1724/4885 |
“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.