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 | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL181194 | 0.97 | — | — | |
| SCHEMBL23466995 | 0.97 | LMNA (0.50) | LMNACYP2A6IDO1TSHRMAPK1 | |
| SCHEMBL11837452 | 0.89 | CYP1A2 (0.48) | LMNACYP2A6IDO1TSHRMAPK1 | |
| SCHEMBL6944008 | 0.87 | TSHR (0.48) | LMNACYP2A6IDO1TSHRMAPK1 | |
| SCHEMBL5487650 | 0.80 | — | — | |
| Tetrahydrofuran SCHEMBL27737521 | 0.79 | ALDH1A1 (0.39) | LMNACYP2A6TSHRALDH1A1HSD17B10 | |
| Ether SCHEMBL18264284 | 0.79 | KDM4E (0.39) | LMNACYP2A6IDO1TSHRTDP1 | |
| Bromide SCHEMBL4241918 | 0.73 | LMNA (0.50) | LMNACYP2A6IDO1TSHRMAPK1 | |
| Bromide SCHEMBL1271251 | 0.71 | ACHE (0.47) | LMNACYP2A6IDO1TSHRTDP1 | |
| Bromide SCHEMBL1271931 | 0.70 | TYR (0.39) | LMNAIDO1MAPK1HIF1ACYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150183721-A1 | AMINO-ALCOHOL ANALOGUES AND USES THEREOF | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) | 2015-07-02 | — | — | US | disclosed |
| EP-2462105-A1 | AMINO-ALCOHOL ANALOGUES AND USES THEREOF | Yissum Research Development Company of the Hebrew University of Jerusalem, Ltd. (IL) | 2012-06-13 | — | — | EP | disclosed |
| US-20120129947-A1 | AMINO-ALCOHOL ANALOGUES AND USES THEREOF | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) | 2012-05-24 | — | — | US | disclosed |
| WO-2011016033-A1 | AMINO-ALCOHOL ANALOGUES AND USES THEREOF | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) | 2011-02-10 | — | — | 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-20150183721-A1 | AMINO-ALCOHOL ANALOGUES AND USES THEREOF | AADAT, ABAT, ADH1A | HTR3A 2192/4885LMNA 1193/4885CYP2A6 2771/4885 |
| US-20120129947-A1 | AMINO-ALCOHOL ANALOGUES AND USES THEREOF | AADAT, ABAT, ADH1A | HTR3A 2192/4885LMNA 1193/4885CYP2A6 2771/4885 |
“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.