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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.64 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.64 |
| ▸ | HTR2A | P28223 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL129993 | 0.98 | TAAR1 (0.66) | TAAR1ADRA1AHTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL3538524 | 0.96 | TAAR1 (0.64) | TAAR1ADRA1AHTR2AHTR2C | |
| SCHEMBL8140359 | 0.86 | TAAR1 (0.51) | TAAR1ADRA1AHTR2AHTR2C | |
| Bromide SCHEMBL3098226 | 0.85 | KDM4E (0.53) | TAAR1ADRA1A | |
| SCHEMBL1569750 | 0.84 | TAAR1 (0.61) | TAAR1ADRA1AHTR2AHTR2C | |
| SCHEMBL1364667 | 0.83 | KDM4E (0.54) | TAAR1ADRA1A | |
| SCHEMBL6488941 | 0.81 | KDM4E (0.53) | — | |
| SCHEMBL31469118 | 0.81 | KDM4E (0.53) | — | |
| SCHEMBL14037603 | 0.81 | KDM4E (0.53) | — | |
| SCHEMBL6964474 | 0.81 | SMN1; SMN2 (0.58) | TAAR1ADRA1AHTR2AHTR2C |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120071654-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2012-03-22 | — | — | US | disclosed |
| US-7994165-B2 | Aryl aniline derivatives as β2 adrenergic receptor agonists | THERAVANCE, INC. (US) | 2011-08-09 | — | — | US | disclosed |
| EP-1706371-B1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE INC (US) | 2011-04-06 | — | — | EP | disclosed |
| US-20100087410-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2010-04-08 | — | — | US | disclosed |
| US-7622467-B2 | 5-[(R)-2-(2-{4-[4-(2-amino-2-methyl-propoxy)-phenylamino]-phenyl}-ethylamino)-1-hydroxy-ethyl]-8-hydroxy-1H-quinolin-2-one; extended duration of action; potency, selectivity; asthma, chronic obstructive pulmonary disease, antiinflammatory, pre-term labor, neurological and cardiac disorders | THERAVANCE, INC. (US) | 2009-11-24 | — | — | US | disclosed |
| EP-1706371-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | Theravance, Inc. (US) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005070872-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | THERAVANCE, INC. (US) | 2005-08-04 | — | — | WO | disclosed |
| US-20050159448-A1 | Aryl aniline derivatives as beta2 adrenergic receptor agonists | THERAVANCE, INC. | 2005-07-21 | — | — | US | disclosed |
| US-20010049374-A1 | Urokinase inhibitors | STEELE ANDREW W (US) | 2001-12-06 | — | — | US | disclosed |
| US-6284796-B1 | NAPHTHAMIDINE COMPOUNDS | ABBOTT LABORATORIES | 2001-09-04 | — | — | US | disclosed |
| US-6258822-B1 | ENZYME INHIBITORS OF NAPHTHALENE AMIDINE COMPOUNDS | ABBOTT LABORATORIES | 2001-07-10 | — | — | US | disclosed |
| EP-1000018-A2 | UROKINASE INHIBITORS | Abbott Laboratories (US) | 2000-05-17 | — | — | EP | disclosed |
| WO-1999005096-A2 | UROKINASE INHIBITORS | ABBOTT LABORATORIES (US) | 1999-02-04 | — | — | 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 (4 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-20120071654-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | ADRB2, ADRB1, ADRA2A | ADRA1A 8/4885TAAR1 52/4885HTR2A 46/4885 |
| US-20050159448-A1 | Aryl aniline derivatives as beta2 adrenergic receptor agonists | ADRB2, ADRB1, ADRA2A | ADRA1A 8/4885TAAR1 52/4885HTR2A 46/4885 |
| US-20100087410-A1 | ARYL ANILINE DERIVATIVES AS BETA2 ADRENERGIC RECEPTOR AGONISTS | ADRB2, ADRB1, ADRA2A | ADRA1A 8/4885TAAR1 52/4885HTR2A 46/4885 |
| US-20010049374-A1 | Urokinase inhibitors | SERPINE1, PLAU, SERPINB1 | ADRA1A 3505/4885TAAR1 3912/4885HTR2A 4783/4885 |
“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.