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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ELANE | P08246 | 2/20 | 0.44 |
| ▸ | VNN1 | O95497 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | IDE | P14735 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NT5E | P21589 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7148265 | 0.99 | NPC1 (0.51) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| Bromide SCHEMBL6279797 | 0.89 | TDP1 (0.46) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL7142887 | 0.87 | TDP1 (0.47) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| Bromide SCHEMBL6276160 | 0.85 | NAMPT (0.48) | NPC1RAB9AKMT2AALDH1A1MAPT | |
| Bromide SCHEMBL6283062 | 0.85 | NT5E (0.51) | NPC1RAB9AKMT2AALDH1A1ELANE | |
| Bromide SCHEMBL6283192 | 0.84 | NPSR1 (0.51) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| Bromide SCHEMBL6285575 | 0.83 | ALDH1A1 (0.54) | RAB9AKMT2AMEN1ALDH1A1MAPT | |
| SCHEMBL7143390 | 0.83 | NT5E (0.52) | NPC1RAB9AKMT2AALDH1A1ELANE | |
| SCHEMBL7142799 | 0.83 | NAMPT (0.49) | NPC1RAB9AKMT2AALDH1A1MAPT | |
| Bromide SCHEMBL6282444 | 0.83 | SMN1; SMN2 (0.50) | ALDH1A1LMNACYP2C9CYP2C19KCNA5 |
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 | NPC1 1275/4885RAB9A 958/4885KMT2A 4107/4885 |
| US-20040097555-A1 | Concomitant drugs | TNF, CHUK, CNKSR1 | NPC1 3258/4885RAB9A 3305/4885KMT2A 3564/4885 |
“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.