Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SOAT2 | O75908 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | FAAH | O00519 | 4/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | GMNN | O75496 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL4819097 | 0.96 | CYP1A2 (0.42) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| Iodide SCHEMBL10731914 | 0.95 | SOAT2 (0.44) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| Bromide SCHEMBL9460670 | 0.94 | CYP1A2 (0.47) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| Bromide SCHEMBL9460664 | 0.94 | CYP1A2 (0.47) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| Bromide SCHEMBL8664990 | 0.86 | HIF1A (0.39) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| Bromide SCHEMBL8664989 | 0.86 | HIF1A (0.39) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| Bromide SCHEMBL27230650 | 0.82 | HIF1A (0.47) | CYP3A4CYP1A2CYP2C19TSHRALDH1A1 | |
| Bromide SCHEMBL27211909 | 0.82 | HIF1A (0.47) | CYP3A4CYP1A2CYP2C19TSHRALDH1A1 | |
| SCHEMBL9844662 | 0.79 | NR1I2 (0.41) | CYP3A4CYP1A2CYP2C9CYP2C19TSHR | |
| Iodide SCHEMBL8438793 | 0.79 | HIF1A (0.47) | SOAT2SOAT1FAAHEPHX2CNR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8334408-B2 | Analogs of alpha galactosylceramide and uses thereof | LUDWIG INSTITUTE FOR CANCER RESEARCH (US) | 2012-12-18 | — | — | US | disclosed |
| US-20120269857-A1 | ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF | LUDWIG INSTITUTE FOR CANCER RESEARCH | 2012-10-25 | — | — | US | disclosed |
| US-8188313-B2 | Analogs of alpha galactosylceramide and uses thereof | THE UNIVERSITY OF BIRMINGHAM (GB) | 2012-05-29 | — | — | US | disclosed |
| US-20120034269-A1 | ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF | CERUNDOLO VINCENZO (GB) | 2012-02-09 | — | — | US | disclosed |
| US-8039670-B2 | Analogs of alpha galactosyceramide and uses thereof | LUDWIG INSTITUTE FOR CANCER RESEARCH (US) | 2011-10-18 | — | — | US | disclosed |
| US-20090239813-A1 | Analogs of Alpha Galactosyceramide and Uses thereof | LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) | 2009-09-24 | — | — | US | 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 (3 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-20090239813-A1 | Analogs of Alpha Galactosyceramide and Uses thereof | SGMS1, CERS2, SGMS2 | CYP3A4 2096/4885CYP1A2 1799/4885CYP2C9 1627/4885 |
| US-20120034269-A1 | ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF | UGCG, CD69, GALC | CYP3A4 3572/4885CYP1A2 3406/4885CYP2C9 4329/4885 |
| US-20120269857-A1 | ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF | UGCG, GALC, CD69 | CYP3A4 3555/4885CYP1A2 3374/4885CYP2C9 4282/4885 |
“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.