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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | IKBKB | O14920 | 2/20 | 0.51 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.46 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 4/20 | 0.43 |
| ▸ | DRD3 | P35462 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1073617 | 0.98 | KDM4E (0.64) | KDM4EGAAMAPK1IKBKBMKNK1 | |
| Hydrochloric Acid SCHEMBL4114881 | 0.96 | KDM4E (0.62) | KDM4EGAAMAPK1IKBKBMKNK1 | |
| Hydrochloric Acid SCHEMBL7657832 | 0.96 | KDM4E (0.62) | KDM4EGAAMAPK1IKBKBMKNK1 | |
| Hydrochloric Acid SCHEMBL8921003 | 0.94 | KDM4E (0.60) | KDM4EGAAMAPK1IKBKBMKNK1 | |
| Hydrochloric Acid SCHEMBL8863988 | 0.94 | KDM4E (0.60) | KDM4EGAAMAPK1IKBKBMKNK1 | |
| SCHEMBL30259523 | 0.91 | KDM4E (0.67) | KDM4EGAAMAPK1IKBKBMKNK1 | |
| SCHEMBL17961781 | 0.86 | KDM4E (0.55) | KDM4EGAAMAPK1IKBKBMKNK1 | |
| SCHEMBL17961788 | 0.86 | KDM4E (0.55) | KDM4EGAAMAPK1IKBKBMKNK1 | |
| SCHEMBL17961784 | 0.86 | KDM4E (0.55) | KDM4EGAAMAPK1IKBKBMKNK1 | |
| Hydrochloric Acid SCHEMBL4112492 | 0.85 | KDM4E (0.53) | KDM4EGAAMAPK1IKBKBMKNK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7855194-B2 | Pyrimidine, quinazoline, pteridine and triazine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-12-21 | — | — | US | disclosed |
| EP-2001867-B1 | PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2009-07-01 | — | — | EP | disclosed |
| EP-2001867-A2 | PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110340-A2 | PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | disclosed |
| US-20070225271-A1 | Pyrimidine, quinazoline, pteridine and triazine derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2007-09-27 | — | — | 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 (1 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-20070225271-A1 | Pyrimidine, quinazoline, pteridine and triazine derivatives | SSTR5, SSTR3, SSTR1 | KDM4E 4340/4885GAA 2384/4885MAPK1 2179/4885 |
“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.