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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.43 |
| ▸ | HTR5A | P47898 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13902828 | 0.99 | ESR1 (0.45) | ESR1ESR2HSP90AA1HTR2CMAP2K7 | |
| SCHEMBL6218345 | 0.81 | DRD2 (0.47) | HTR2C | |
| SCHEMBL1840383 | 0.81 | HRH4 (0.48) | HTR2C | |
| SCHEMBL6219432 | 0.81 | HTR2C (0.44) | HTR2C | |
| Hydrochloric Acid SCHEMBL6248461 | 0.80 | DRD2 (0.46) | HTR2C | |
| SCHEMBL26582532 | 0.78 | HTR2C (0.42) | HTR2C | |
| SCHEMBL13899001 | 0.78 | KDM4E (0.48) | ESR1ESR2HSP90AA1 | |
| SCHEMBL26582533 | 0.78 | HTR2C (0.42) | HTR2C | |
| SCHEMBL3911097 | 0.78 | HTR3A (0.49) | — | |
| SCHEMBL194219 | 0.77 | HTR2C (0.50) | HTR2C |
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-7511046-B2 | Thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists | AVENTIS HOKLINGS INC. (US) | 2009-03-31 | — | — | US | disclosed |
| US-20070004695-A1 | THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-01-04 | — | — | US | disclosed |
| US-7125903-B1 | Thienoisoxazolyl-and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists | AVENTIS PHARMACEUTICALS INC. (US) | 2006-10-24 | — | — | US | disclosed |
| EP-1216250-B1 | THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS | AVENTIS PHARMA INC (US) | 2003-11-19 | — | — | EP | disclosed |
| EP-1216250-A1 | THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS | Aventis Pharmaceuticals Inc. (US) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001019833-A1 | THIENOISOXAZOLYL- AND THIENYLPYRRAZOLYL-PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS | AVENTIS PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | 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 (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-20070004695-A1 | THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS | DRD4, DRD2, SLC6A3 | ESR1 2552/4885ESR2 3551/4885HSP90AA1 1077/4885 |
“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.